SCHEMBL8907160

SCHEMBL8907160

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX7 Q99572 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.37
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
S1PR5 Q9H228 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CCR2 P41597 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
SCHEMBL8652410 0.90 SHMT1 (0.43) P2RX7MEN1KMT2AHTTLMNA
SCHEMBL8653109 0.89 SHMT1 (0.39) NPC1RAB9AP2RX7ATMKMT2A
SCHEMBL8907373 0.89 P2RX7 (0.38) NPC1RAB9AP2RX7L3MBTL1POLB
SCHEMBL8906980 0.88 NPC1 (0.41) NPC1RAB9AP2RX7L3MBTL1POLB
SCHEMBL7960093 0.87 MEN1 (0.42) P2RX7MEN1KMT2AHTTHPGD
SCHEMBL8906515 0.86 P2RX7 (0.41) NPC1RAB9AP2RX7L3MBTL1POLB
SCHEMBL8907295 0.86 S1PR5 (0.35) P2RX7S1PR5
SCHEMBL8907163 0.85 NPC1 (0.39) NPC1RAB9AP2RX7L3MBTL1POLB
SCHEMBL8907439 0.84 NPC1 (0.44) NPC1RAB9AP2RX7L3MBTL1POLB
SCHEMBL8907075 0.83 NPC1 (0.39) NPC1RAB9AP2RX7L3MBTL1POLB

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