SCHEMBL710231

SCHEMBL710231

CC(C)COCCCC[O]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.37
SPHK2 Q9NRA0 1/20 0.37
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
HSD17B10 Q99714 1/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
PLA2G2C Q5R387 1/20 0.31

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
SCHEMBL2525588 0.98 SPHK1 (0.39) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL2527671 0.98 SPHK1 (0.39) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL713562 0.92
SCHEMBL11858528 0.87 SPHK1 (0.42) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL8810626 0.85 SPHK1 (0.37) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL31086433 0.84 SPHK1 (0.44) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL10119365 0.84 SPHK1 (0.44) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL8812939 0.83 SPHK1 (0.39) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL8814337 0.83 SPHK1 (0.39) SPHK1SPHK2ALDH1A1USP2HTT
SCHEMBL294134 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110964012-A Fused heterocyclic biaryl benzyl alcohol compound, preparation method and application 如东凌达生物医药科技有限公司 2020-04-07 CN claimed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
CN-117769548-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-03-26 CN disclosed
CN-117003744-A Five-membered and six-membered compound, intermediate, preparation method, composition and application 厦门市博瑞来医药科技有限公司 2023-11-07 CN disclosed
CN-114149518-B Catalyst carrier for olefin polymerization, preparation method and application thereof, catalyst and application thereof 中国石油化工股份有限公司 2023-07-21 CN disclosed
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 CN disclosed
CN-114315840-A 4H-imidazo [1,2-a ] imidazoles for electronic applications UDC 爱尔兰有限责任公司 2022-04-12 CN disclosed
CN-108419438-B Coloring composition 株式会社艾迪科 2021-10-01 CN disclosed
CN-111253403-A Amino pyran deuterated derivative, composition and application thereof 四川海思科制药有限公司 2020-06-09 CN disclosed
EP-2237774-B1 THE USE OF 6-HALOGENO-(1,2,4)-TRIAZOLO-(1,5-a)-PYRIMIDINE COMPOUNDS FOR COMBATING PESTS IN AND ON ANIMALS MERIAL LTD (US) 2016-06-22 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 EP disclosed
WO-1996021645-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
US-4532239-A N-phenoxypropanol-N'-pyridazinyl ethylendiamines as β-receptor blockers CASSELLA AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0054946-B1 BASIC SUBSTITUTED PYRIDAZINES, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1984-08-15 EP disclosed
EP-0054946-A1 Basic substituted pyridazines, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1982-06-30 EP disclosed
US-4216314-A CARDIOSELECTIVE B-ADRENOLYTIC AGENTS, ANTIARRHYTHMIC AGENTS AND HYPOTENSIVE AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed