SCHEMBL7872058

SCHEMBL7872058

CCOC(=O)C1(NC(=O)Cc2c(C)cc(Cl)cc2Cl)CCC(CC)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.40
ABCB1 P08183 1/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.33
SHMT1 P34896 1/20 0.33
SHMT2 P34897 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
SCHEMBL6838460 0.92 POLB (0.37) P2RX7GAASMN1; SMN2EPHX2
SCHEMBL5929427 0.91 P2RX7 (0.39) P2RX7ABCB1GAASMN1; SMN2
SCHEMBL7673905 0.88 GAA (0.33) GAASMN1; SMN2
SCHEMBL8907272 0.83 ADCY8 (0.40) P2RX7
SCHEMBL5492364 0.83 OPRM1 (0.34) GAASMN1; SMN2
SCHEMBL7132879 0.81 MAPK1 (0.37) P2RX7GAASMN1; SMN2
SCHEMBL6290175 0.81 P2RX7 (0.35) P2RX7ABCB1
SCHEMBL2525179 0.80 P2RX7 (0.32) P2RX7ABCB1
SCHEMBL8654342 0.79 P2RX7 (0.36) P2RX7GAASMN1; SMN2
SCHEMBL2947752 0.78 EPHX2 (0.34) P2RX7EPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316486-B1 FOR COMBATING PESTS AND WEED BAYER AKTIENGESELLSCHAFT (DE) 2001-11-13 US disclosed