SCHEMBL7964600

SCHEMBL7964600

CCC1CCC(NC(=O)Cc2c(C)cc(C)cc2OC)(C(=O)OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
P2RX7 Q99572 1/20 0.32
CNR2 P34972 2/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL8907784 0.92 P2RX7 (0.34) FFAR4P2RX7
SCHEMBL7961943 0.92 LPAR1 (0.34) LPAR1NPC1RAB9AFFAR4P2RX7
SCHEMBL7949977 0.89 GAA (0.37) LPAR1NPC1RAB9AKDM4EHPGD
SCHEMBL7960880 0.88 LPAR1 (0.34) LPAR1NPC1RAB9AKDM4EHPGD
SCHEMBL7961784 0.87 MAPT (0.36) LPAR1
SCHEMBL7960018 0.86 LPAR1 (0.37) LPAR1NPC1RAB9AKDM4EHPGD
SCHEMBL7964520 0.86 S1PR5 (0.33) LPAR1NPC1RAB9AP2RX7LMNA
SCHEMBL7961454 0.86 KMT2A (0.35) NPC1RAB9AFFAR4P2RX7KDM4E
SCHEMBL7960902 0.85 MAPT (0.38) LPAR1NPC1RAB9AKDM4E
SCHEMBL7949834 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