SCHEMBL7960018

SCHEMBL7960018

COC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2OC)CCC(C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.37
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX5 P09917 1/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL8906549 0.92 MAPT (0.32) LPAR1
SCHEMBL7957992 0.92 LPAR1 (0.37) LPAR1NPC1RAB9A
SCHEMBL7949977 0.88 GAA (0.37) LPAR1NPC1RAB9ALMNAKDM4E
SCHEMBL8796943 0.87 LPAR1 (0.38) LPAR1NPC1RAB9AALOX5LMNA
SCHEMBL7960880 0.87 LPAR1 (0.34) LPAR1NPC1RAB9ALMNAKDM4E
SCHEMBL7964600 0.86 LPAR1 (0.33) LPAR1NPC1RAB9ALMNAKDM4E
SCHEMBL7958195 0.86 LMNA (0.33) LPAR1LMNARXFP1HPGDCYP3A4
SCHEMBL7961784 0.86 MAPT (0.36) LPAR1
SCHEMBL7964520 0.85 S1PR5 (0.33) LPAR1NPC1RAB9ALMNA
SCHEMBL7960239 0.85 MAPT (0.38) LPAR1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed