SCHEMBL8906307

SCHEMBL8906307

Cc1ccc(CC(=O)NC2(C(=O)O)CCCC(C)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 3/20 0.38
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
CYP1A2 P05177 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
THRB P10828 1/20 0.33
SHMT1 P34896 1/20 0.33
SHMT2 P34897 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL8653800 0.90 SHMT1 (0.43) LPAR1P2RX7HPGDLMNASHMT1
SCHEMBL8652082 0.89 SHMT1 (0.38) LPAR1NPC1RAB9APOLBL3MBTL1
SCHEMBL8906878 0.89 POLB (0.37) LPAR1NPC1RAB9APOLBL3MBTL1
SCHEMBL7950101 0.87 ALDH1A1 (0.45) LPAR1P2RX7HPGDCYP1A2
SCHEMBL8906980 0.86 NPC1 (0.41) LPAR1NPC1RAB9APOLBL3MBTL1
SCHEMBL8907075 0.85 NPC1 (0.39) LPAR1NPC1RAB9APOLBL3MBTL1
SCHEMBL8907769 0.85 LPAR1 (0.38) LPAR1P2RX7CYP1A2SHMT1SHMT2
SCHEMBL8907413 0.81 SHMT1 (0.48) P2RX7SHMT1SHMT2
SCHEMBL8651345 0.81 P2RX7 (0.39) P2RX7HPGDLMNASHMT1SHMT2
SCHEMBL8906515 0.80 P2RX7 (0.41) NPC1RAB9APOLBL3MBTL1P2RX7

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