SCHEMBL8907303

SCHEMBL8907303

COC(=O)C1(NC(=O)Cc2ccc(C)cc2C)CCC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LPAR1 Q92633 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
SCHEMBL16490008 0.91 THRB (0.41) P2RX7THRBNPC1RAB9AGAA
SCHEMBL16490007 0.91 THRB (0.41) P2RX7THRBNPC1RAB9AGAA
SCHEMBL8655545 0.89 ANO1 (0.42) P2RX7GAALMNAHPGDALDH1A1
SCHEMBL8907373 0.89 P2RX7 (0.38) P2RX7POLBL3MBTL1NPC1RAB9A
SCHEMBL7950115 0.89 ALDH1A1 (0.45) P2RX7GAAHPGDALDH1A1
SCHEMBL8652037 0.89 P2RX7 (0.38) P2RX7THRBNPC1RAB9AGAA
SCHEMBL8906980 0.88 NPC1 (0.41) P2RX7THRBPOLBL3MBTL1NPC1
SCHEMBL6764679 0.88 NPC1 (0.41) P2RX7NPC1RAB9AALDH1A1
SCHEMBL8862996 0.88 L3MBTL1 (0.42) P2RX7POLBL3MBTL1NPC1RAB9A
SCHEMBL13940426 0.88 P2RX7 (0.37) P2RX7POLBL3MBTL1NPC1RAB9A

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