SCHEMBL1321

SCHEMBL1321

O=[P](Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.47
EPHX2 P34913 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AKR1B1 P15121 1/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
IDO1 P14902 1/20 0.43
TP53 P04637 1/20 0.43
TRPA1 O75762 1/20 0.43
MAOB P27338 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ELANE P08246 2/20 0.40
FAAH O00519 1/20 0.40
PRSS1 P07477 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7600146 0.84 TP53 (0.48) CALM1EPHX2CES2CES1AKR1B1
SCHEMBL9122338 0.80 TP53 (0.43) CALM1EPHX2CES2CES1AKR1B1
SCHEMBL10755368 0.80 TSHR (0.43) CALM1EPHX2CES2CES1AKR1B1
SCHEMBL29227590 0.80 MAOB (0.42) CALM1EPHX2CES2CES1AKR1B1
SCHEMBL4878935 0.80 CES2 (0.44) CALM1EPHX2CES2CES1AKR1B1
SCHEMBL28400181 0.79 CALM1 (0.45) CALM1EPHX2CES2CES1AKR1B1
SCHEMBL28443365 0.78 TSHR (0.40) CALM1EPHX2CES2CES1AKR1B1
SCHEMBL777239 0.78 CES1 (0.41) CALM1EPHX2CES2CES1AKR1B1
SCHEMBL196203 0.78 CALM1 (0.50) CALM1EPHX2TSHRALDH1A1LOXL2
SCHEMBL9123656 0.77 SMN1; SMN2 (0.44) EPHX2TP53SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 688 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118996447-A Phosphine-oxide substituted quinoxaline quinazolinone compound, preparation method and application thereof 南阳师范学院 2024-11-22 CN claimed
CN-114181250-A Alkenyl phosphine compound and preparation method thereof 中国石油化工股份有限公司 2022-03-15 CN claimed
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP claimed
CN-112500441-A Preparation process of high-purity glycosyl phosphate 上海彩迩文生化科技有限公司 2021-03-16 CN claimed
US-9382334-B2 Optical film SK INNOVATION CO., LTD. (KR) 2016-07-05 US claimed
CN-103910758-B The preparation method of a kind of axial chirality dibenzyl phosphine oxide and axial chirality dibenzyl phosphine SUN YAT-SEN UNIVERSITY (CN) 2016-01-20 CN claimed
US-20150004333-A1 Optical Film SK INNOVATION CO., LTD. (KR) 2015-01-01 US claimed
EP-2800779-A1 OPTICAL FILM SK Innovation Co., Ltd. (KR) 2014-11-12 EP claimed
CN-103910758-A Preparation method of axially chiral biaryl phosphine oxide and axially chiral biaryl phosphine UNIV SUN YAT SEN 2014-07-09 CN claimed
CN-102532368-B Rare earth catalyst and method for polymerizing conjugated diene by using same UNIV BEIJING CHEMICAL 2014-04-02 CN claimed
CN-103073578-A Dibenzyl phosphinic acid synthetic method UNIV TSINGHUA 2013-05-01 CN claimed
CN-102532368-A Rare earth catalyst and method for polymerizing conjugated diene by using same UNIV BEIJING CHEMICAL 2012-07-04 CN claimed
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP claimed
US-6624322-B1 Reacting ketones, primary amines and phosphorous compound, then oxidizing the aminophosphonate formed using halogen-free acids in water and solvent mixtures having buffers ATOFINA (FR) 2003-09-23 US claimed
EP-0387747-B1 Process for the preparation of 1,3-substituted tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-on-4-ylidene-pentanoic ester LONZA AG (CH) 1995-05-17 EP claimed
EP-0270076-B1 IMIDAZOLE DERIVATIVES AND A PROCESS FOR THEIR PREPARATION LONZA AG (CH) 1991-10-09 EP claimed
EP-0362634-A2 Basic dihydropyridines, process for their preparation and their use as intermediates BAYER AG (DE) 1990-04-11 EP claimed
US-4650868-A 7-deazapurine derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-03-17 US claimed
EP-0000745-B1 SALT OF AN OPTICALLY ACTIVE ISOMER OF PHENYLGLYCINE AND AN OPTICALLY ACTIVE ISOMER OF 2-AMINO BUTANOL AND PROCESS FOR ITS PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-15 EP claimed
EP-0000745-A1 Salt of an optically active isomer of phenylglycine and an optically active isomer of 2-amino butanol and process for its preparation HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-21 EP claimed