SCHEMBL8907373

SCHEMBL8907373

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP1 P03956 1/20 0.33
MMP13 P45452 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
SCHEMBL7960982 0.89 MEN1 (0.42) P2RX7HPGDMEN1KMT2AALDH1A1
SCHEMBL8656926 0.89 ANO1 (0.41) P2RX7LMNAHPGDKMT2AALDH1A1
SCHEMBL8657143 0.89 P2RX7 (0.37) P2RX7NPC1RAB9AATMKMT2A
SCHEMBL8907303 0.89 P2RX7 (0.39) P2RX7POLBL3MBTL1NPC1RAB9A
SCHEMBL8907160 0.89 NPC1 (0.40) P2RX7POLBL3MBTL1NPC1RAB9A
SCHEMBL8906013 0.86 P2RX7 (0.34) P2RX7POLBLMNAMEN1KMT2A
SCHEMBL8862996 0.86 L3MBTL1 (0.42) P2RX7POLBL3MBTL1NPC1RAB9A
SCHEMBL13940426 0.86 P2RX7 (0.37) P2RX7POLBL3MBTL1NPC1RAB9A
SCHEMBL8906519 0.86 KDM4E (0.38) P2RX7POLBL3MBTL1NPC1RAB9A
SCHEMBL8862748 0.85 L3MBTL1 (0.42) 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