SCHEMBL8650846

SCHEMBL8650846

COC(=O)C1(NC(=O)Cc2ccc(C)cc2Cl)CCC(C)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.38
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
MGLL Q99685 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL8907284 0.91 RECQL (0.41) P2RX7RECQLMEN1KMT2A
SCHEMBL8654379 0.89 P2RX7 (0.39) P2RX7NPC1RAB9AEPHX2
SCHEMBL8905990 0.89 P2RX7 (0.37) P2RX7NPC1RAB9AMEN1KMT2A
SCHEMBL6480022 0.89 P2RX7 (0.42) P2RX7RECQLMEN1KMT2A
SCHEMBL8652037 0.88 P2RX7 (0.38) P2RX7NPC1RAB9ARECQLANO1
SCHEMBL8653874 0.87 P2RX7 (0.36) P2RX7NPC1RAB9AEPHX2
SCHEMBL8655537 0.85 P2RX7 (0.40) P2RX7ANO1
SCHEMBL8652458 0.85 P2RX7 (0.38) P2RX7NPC1RAB9ARECQLANO1
SCHEMBL8657143 0.84 P2RX7 (0.37) P2RX7NPC1RAB9ARECQLKMT2A
SCHEMBL8650622 0.84 P2RX7 (0.37) P2RX7NPC1RAB9ARECQLANO1

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-5847211-A Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5622917-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed