SCHEMBL7018714

SCHEMBL7018714

CCCCCCCCCc1ccc(O[PH](=O)CC(CC)CCCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
THRA P10827 1/20 0.42
S1PR1 P21453 6/20 0.42
PPARA Q07869 1/20 0.42
S1PR2 O95136 4/20 0.41
S1PR4 O95977 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR5 Q9H228 2/20 0.41
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SHBG P04278 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
SCHEMBL13412456 0.83 PTGES (0.38) PPARAALDH1A1LMNACYP3A4HSD17B10
SCHEMBL330123 0.82 S1PR1 (0.43) THRBTHRAS1PR1PPARAS1PR2
SCHEMBL19878120 0.82 ALDH1A1 (0.44) PPARAALDH1A1LMNACYP3A4KDM4E
SCHEMBL30906014 0.81 S1PR1 (0.42) THRBTHRAS1PR1PPARAS1PR2
SCHEMBL30250236 0.81 S1PR1 (0.42) THRBTHRAS1PR1PPARAS1PR2
SCHEMBL30250223 0.81 S1PR1 (0.42) THRBTHRAS1PR1PPARAS1PR2
SCHEMBL30111783 0.81 S1PR1 (0.42) THRBTHRAS1PR1PPARAS1PR2
SCHEMBL2817617 0.77 THRB (0.53) THRBTHRAESR1ADRA2AADORA3
SCHEMBL5685400 0.77 THRB (0.53) THRBTHRAESR1ADRA2AADORA3
SCHEMBL678040 0.77 THRB (0.53) THRBTHRAESR1ADRA2AADORA3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113661198-B Polyether polyol 亨茨曼国际有限公司 2024-07-26 CN claimed
CN-113661198-B Polyether polyol 亨茨曼国际有限公司 2024-07-26 CN disclosed
CN-110540679-B Rubber composition for tire and pneumatic tire 住友橡胶工业株式会社 2023-03-31 CN disclosed
CN-110540687-B Rubber composition for tire and pneumatic tire 住友橡胶工业株式会社 2023-03-10 CN disclosed
WO-2022123993-A1 COPOLYMER, RUBBER COMPOSITION, AND RESIN COMPOSITION 株式会社ブリヂストン 2022-06-16 WO disclosed
EP-3221368-A1 BULK POLYMERIZATION OF POLYISOPRENE WITH PREFORMED CATALYST Bridgestone Corporation (JP) 2017-09-27 EP disclosed
CN-105814087-B Polymers functionalized with imine compounds containing cyano groups 株式会社普利司通 2017-07-11 CN disclosed
CN-104093751-B The method for preparing the polydiene and polydiene copolymer with the cold flow for reducing 株式会社普利司通 2017-05-31 CN disclosed
WO-2016081300-A1 BULK POLYMERIZATION OF POLYISOPRENE WITH PREFORMED CATALYST BRIDGESTONE CORPORATION (JP) 2016-05-26 WO disclosed
WO-2003040231-A1 PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS BRIDGESTONE CORPORATION (JP) 2003-05-15 WO disclosed
EP-1294780-A2 PROCESS FOR DESOLVENTIZING LOW MOLECULAR WEIGHT DIENE POLYMERS Bridgestone Corporation (JP) 2003-03-26 EP disclosed
EP-1183283-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2002-03-06 EP disclosed
WO-2001096425-A2 PROCESS FOR DESOLVENTIZING LOW MOLECULAR WEIGHT DIENE POLYMERS BRIDGESTONE CORPORATION (JP) 2001-12-20 WO disclosed
WO-2000075201-A1 MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES BRIDGESTONE CORPORATION (JP) 2000-12-14 WO disclosed