SCHEMBL7450593

SCHEMBL7450593

COCCCCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CA2 P00918 17/20 0.39
CA1 P00915 16/20 0.39
CA9 Q16790 14/20 0.36
CA12 O43570 5/20 0.34
CA7 P43166 5/20 0.34
CA14 Q9ULX7 5/20 0.34
CA3 P07451 4/20 0.34
CA4 P22748 4/20 0.34
CA6 P23280 4/20 0.34
CA5A P35218 4/20 0.34
CA5B Q9Y2D0 4/20 0.34
MAPK1 P28482 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
SCHEMBL18889097 0.96 CA2 (0.39) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL575713 0.89 CA2 (0.44) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL1759185 0.86 CA2 (0.41) CA2CA1CA9
SCHEMBL8398329 0.86 CA2 (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2735589 0.86 CA2 (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL23291930 0.86 CA2 (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14779178 0.86 CA2 (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4952312 0.86 CA2 (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL29094937 0.84 CA2 (0.40) CA2CA1
Ammonia Solution, Strong SCHEMBL28134013 0.84 CA2 (0.40) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961615-A4 ANTIMICROBIAL AGENT DORLIN PHARM INC (US) 2002-09-11 EP disclosed
EP-0961615-A1 ANTIMICROBIAL AGENT Dorlin Pharmaceuticals, Inc. (US) 1999-12-08 EP disclosed
US-5910509-A ADMINISTERING SUBSTITUTED ISOCHROMENE DERIVATIVE; FUNGICIDES DORLIN PHARMACEUTICALS, INC. 1999-06-08 US disclosed
US-5859027-A Antimicrobial agent CHEKTEC CORPORATION (US) 1999-01-12 US disclosed
WO-1998037891-A1 ANTIMICROBIAL AGENT FOR AGRICULTURE DORLIN PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1998037890-A1 ANTIMICROBIAL AGENT DORLIN PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed