SCHEMBL8906980

SCHEMBL8906980

Cc1ccc(CC(=O)NC2(C(=O)O)CCC(C)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX7 Q99572 3/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
GPR132 Q9UNW8 1/20 0.38
LPAR1 Q92633 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8654464 0.89 SHMT1 (0.45) P2RX7GPR132LMNAHPGD
SCHEMBL8907439 0.89 NPC1 (0.44) NPC1RAB9AP2RX7L3MBTL1POLB
SCHEMBL8907160 0.88 NPC1 (0.40) NPC1RAB9AP2RX7L3MBTL1POLB
SCHEMBL8906515 0.88 P2RX7 (0.41) NPC1RAB9AP2RX7L3MBTL1POLB
SCHEMBL8907303 0.88 P2RX7 (0.39) NPC1RAB9AP2RX7THRBL3MBTL1
SCHEMBL8657000 0.88 SHMT1 (0.40) NPC1RAB9AP2RX7THRBGPR132
SCHEMBL8907163 0.87 NPC1 (0.39) NPC1RAB9AP2RX7L3MBTL1POLB
SCHEMBL8907075 0.87 NPC1 (0.39) NPC1RAB9AP2RX7THRBL3MBTL1
SCHEMBL7961954 0.86 ALDH1A1 (0.45) P2RX7GPR132LPAR1MAPTMEN1
SCHEMBL8906307 0.86 LPAR1 (0.39) NPC1RAB9AP2RX7THRBL3MBTL1

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-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed