SCHEMBL8907784

SCHEMBL8907784

CCC1CCC(NC(=O)Cc2c(C)cc(C)cc2C)(C(=O)OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
MAPT P10636 1/20 0.33
FFAR4 Q5NUL3 2/20 0.31
CYP19A1 P11511 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EPHX2 P34913 1/20 0.30
NR2F2 P24468 1/20 0.30

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
SCHEMBL7964600 0.92 LPAR1 (0.33) P2RX7FFAR4
SCHEMBL7961454 0.91 KMT2A (0.35) P2RX7MAPTFFAR4EPHX2
SCHEMBL8905682 0.88 MAPT (0.34) P2RX7MAPTGAANPSR1EPHX2
SCHEMBL8907152 0.88 P2RX7 (0.36) P2RX7MAPTFFAR4GAANPSR1
SCHEMBL9595651 0.87 MEN1 (0.34) P2RX7MAPTNPSR1
SCHEMBL9595918 0.85 MAPT (0.40) MAPT
SCHEMBL8906013 0.85 P2RX7 (0.34) P2RX7MAPTCYP19A1GAANPSR1
SCHEMBL8906549 0.85 MAPT (0.32) P2RX7MAPTGAANPSR1
SCHEMBL6838460 0.85 POLB (0.37) P2RX7MAPTFFAR4GAAEPHX2
SCHEMBL12460527 0.84 MAPT (0.32) P2RX7MAPT

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