SCHEMBL832850

SCHEMBL832850

O=CC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
TAAR1 Q96RJ0 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACP3 P15309 1/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP1A2 P05177 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
MAOA P21397 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL31547206 0.87 CNR2 (0.44) EPHX1TAAR1MEN1KMT2AACP3
SCHEMBL4217495 0.87 ESR1 (0.43) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL28867116 0.87 EPHX1 (0.42) EPHX1MEN1KMT2ASLC6A4SLC6A3
SCHEMBL5658423 0.87 SLC7A5 (0.44) MEN1KMT2ASLC7A5
SCHEMBL2669640 0.82 TP53 (0.54) EPHX1TAAR1MEN1KMT2AALDH1A1
SCHEMBL38662261 0.82 ALDH1A1 (0.54) MEN1KMT2AACP3CYP1A2SIGMAR1
SCHEMBL28878316 0.81 TAAR1 (0.42) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL28779138 0.81 PPARG (0.52) SLC6A2SLC6A3CYP1A2PTGS1MAOA
SCHEMBL7387173 0.80 SLC6A2 (0.40) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL10627463 0.79 CYP2D6 (0.42) TAAR1KMT2ACYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108083999-A A kind of environment-friendly preparation method thereof of alpha-alcohol ketone 西北师范大学 2018-05-29 CN claimed
WO-2008051143-A1 METHOD FOR PRODUCTION OF A DIOL, TRIOL, OR POLYOL IN ONE OR MORE PLATE REACTOR (S) PERSTORP SPECIALTY CHEMICALS AB (SE) 2008-05-02 WO claimed
EP-0948476-B1 PROCESS FOR THE PREPARATION OF POLYVALENT ALCOHOLS DYNEA CHEMICALS OY (FI) 2003-06-11 EP claimed
US-6255541-B1 ALDOL CONDENSATION OF AN ALDEHYDE IN THE PRESENCE OF A WEAK BASE ANION EXCHANGE RESIN AND HYDROGENATING THE ALDEHYDE IN THE PRESECE OF A SOLVENT AND CATALYST NESTE CHEMICAL OY (FI) 2001-07-03 US claimed
WO-2001002088-A1 METHOD FOR THE CONTROL OF THE MANUFACTURING PROCESS OF POLYOLS NESTE CHEMICALS OY (FI) 2001-01-11 WO claimed
CN-1242760-A Process for preparing polyols NESTE OY (FI) 2000-01-26 CN claimed
EP-0948476-A1 PROCESS FOR THE PREPARATION OF POLYVALENT ALCOHOLS Neste Chemicals Oy (FI) 1999-10-13 EP claimed
WO-1998029374-A1 PROCESS FOR THE PREPARATION OF POLYVALENT ALCOHOLS NESTE CHEMICALS OY (FI) 1998-07-09 WO claimed
WO-1997045119-A1 USE OF SUBSTANCE P ANTAGONISTS FOR TREATING SOCIAL PHOBIA NOVARTIS AG (CH) 1997-12-04 WO claimed
US-5416118-A Enzyme inhibitors SCHERING CORPORATION (US) 1995-05-16 US claimed
US-5326762-A Heterocyclic substituted amides SCHERING CORPORATION (US) 1994-07-05 US claimed
EP-0583346-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1994-02-23 EP claimed
WO-1992018462-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1992-10-29 WO claimed
EP-0508425-A1 Bicyclic amides as inhibitors of acyl-coenzyme a: cholesterol acyl transferase SCHERING CORPORATION (US) 1992-10-14 EP claimed
US-4181810-A FROM THE 2-SUBSTITUTED ETHANAL AND FORMALDEHYDE USING AN ACID ION EXCHANGER; HYDROGENATION OF REACTION PRODUCT BAYER AKTIENGESELLSCHAFT (DE) 1980-01-01 US claimed
CN-115710179-A Method for synthesizing alpha-acyloxy ketone by photocatalysis 浙江工业大学台州研究院 2023-02-24 CN disclosed
CN-108083999-A A kind of environment-friendly preparation method thereof of alpha-alcohol ketone 西北师范大学 2018-05-29 CN disclosed
EP-0150908-A1 Use of Curable impregnant compositions for impregnating electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-08-07 EP disclosed
US-4181810-A FROM THE 2-SUBSTITUTED ETHANAL AND FORMALDEHYDE USING AN ACID ION EXCHANGER; HYDROGENATION OF REACTION PRODUCT BAYER AKTIENGESELLSCHAFT (DE) 1980-01-01 US disclosed
US-4060677-A Process for molecular weight lowering of vinyl halide polymers employing saturated carbon to carbon bonded aldehydes HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1977-11-29 US disclosed