SCHEMBL8860730

SCHEMBL8860730

CCCCCCOc1ccc(C[C](C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.62
PLA2G4B P0C869 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
PDE4A P27815 1/20 0.57
HIF1A Q16665 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
LTA4H P09960 2/20 0.54
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL3027940 0.98 NR5A1 (0.59) NR5A1PLA2G4BSMN1; SMN2KDM4ECYP1A2
SCHEMBL27774512 0.94 KDM4E (0.62) NR5A1PLA2G4BSMN1; SMN2KDM4ECYP1A2
SCHEMBL7379002 0.91 SMN1; SMN2 (0.55) NR5A1PLA2G4BSMN1; SMN2KDM4ECYP1A2
SCHEMBL27370379 0.83 NR5A1 (0.63) NR5A1PLA2G4BSMN1; SMN2TP53TSHR
SCHEMBL17402432 0.83 NR5A1 (0.63) NR5A1PLA2G4BSMN1; SMN2TP53TSHR
SCHEMBL9016860 0.83 NR5A1 (0.63) NR5A1PLA2G4BSMN1; SMN2TP53TSHR
SCHEMBL14231646 0.83 NR5A1 (0.63) NR5A1PLA2G4BSMN1; SMN2TP53TSHR
SCHEMBL14101446 0.83 NR5A1 (0.63) NR5A1PLA2G4BSMN1; SMN2TP53TSHR
SCHEMBL11662474 0.83 PLA2G4B (0.86) PLA2G4BSMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL5098137 0.83 PLA2G4B (0.86) PLA2G4BSMN1; SMN2KDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5658926-A ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5506239-A Carbostyril derivative and platelets aggregation inhibitory agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 CN disclosed
EP-0569592-A1 CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-18 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 CN disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed