SCHEMBL2992525

SCHEMBL2992525

COc1ccc2c(c1)-c1cc(F)ccc1C(=O)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.50
AKR1A1 P14550 1/20 0.49
AKR1B1 P15121 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NQO1 P15559 1/20 0.46
POR P16435 1/20 0.46
USP8 P40818 1/20 0.45
METAP1 P53582 2/20 0.45
MALT1 Q9UDY8 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PTPN1 P18031 1/20 0.44
MDM2 Q00987 1/20 0.44
NTRK1 P04629 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL8078210 0.89 MAPK14 (0.53) MAPK14AKR1A1AKR1B1CA1CA2
SCHEMBL28155812 0.88 CA1 (0.57) CA1CA2CA4CA7CA9
SCHEMBL2993382 0.84 CA1 (0.53) CA1CA2CA4CA7CA9
SCHEMBL7786812 0.84 CA1 (0.57) CA1CA2CA4CA7CA9
SCHEMBL13487415 0.82 CA1 (0.52) AKR1A1AKR1B1CA1CA2CA7
SCHEMBL2997273 0.81 PTPN1 (0.54) CA1CA2CA4CA7CA9
SCHEMBL10885799 0.80 CA1 (0.53) CA1CA2CA4CA7CA9
SCHEMBL23111388 0.80 CA1 (0.57) CA1CA2CA4CA7CA9
SCHEMBL29595732 0.80 CA1 (0.57) CA1CA2CA4CA7CA9
SCHEMBL7451901 0.80 CA1 (0.57) CA1CA2CA4CA7CA9

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-20100180937-A1 HOLOGRAPHIC ENERGY-COLLECTING MEDIUM AND ASSOCIATED DEVICE GENERAL ELECTRIC COMPANY (US) 2010-07-22 US disclosed