SCHEMBL1371292

SCHEMBL1371292

CC(C)c1ccc(OB(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TYR P14679 2/20 0.39
HTT P42858 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
IDO1 P14902 2/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL29040538 0.98 RAB9A (0.41) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5206843 0.81 KMT2A (0.40) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27957983 0.81 CYP11B1 (0.36) RAB9AKMT2AMEN1ALDH1A1CA1
SCHEMBL3800806 0.80 CA1 (0.38) KMT2AMEN1CA12CA1CA2
SCHEMBL28291853 0.79 ALDH1A1 (0.53) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27889554 0.79 ACHE (0.38) KMT2AMEN1MAPT
SCHEMBL8111516 0.79 ELANE (0.31)
SCHEMBL1373919 0.77 KMT2A (0.50) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
Boric Acid SCHEMBL14874706 0.77 RAB9A (0.59) RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL28067372 0.77 MRGPRX4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117821998-A Sulfonylation reaction method for electrochemically catalyzing organic boric acid 南京林业大学 2024-04-05 CN claimed
CN-117816241-A Palladium-containing catalyst, preparation method and application thereof, and Suzuki-Miyaura reaction method 中国石油化工股份有限公司 2024-04-05 CN claimed
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP claimed
CN-114956976-B Indenofluorene-6, 12-dione derivative and synthetic method and application thereof 商丘师范学院 2024-10-15 CN disclosed
CN-118324820-A Organic phosphorescent material, organic electroluminescent device comprising same and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2024-07-12 CN disclosed
CN-118146234-A 6,5,7,6-Tetracyclic derivatives, preparation method and application thereof 浙江我武翼方药业有限公司 2024-06-07 CN disclosed
CN-117821998-A Sulfonylation reaction method for electrochemically catalyzing organic boric acid 南京林业大学 2024-04-05 CN disclosed
CN-117816241-A Palladium-containing catalyst, preparation method and application thereof, and Suzuki-Miyaura reaction method 中国石油化工股份有限公司 2024-04-05 CN disclosed
CN-117003606-A Preparation method of diene compound 上海陶术生物科技有限公司 2023-11-07 CN disclosed
CN-116462630-A Quinoline low-temperature curing agent, polyimide and photosensitive resin 深圳先进电子材料国际创新研究院 2023-07-21 CN disclosed
CN-116354897-A Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines 华东师范大学 2023-06-30 CN disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed