SCHEMBL7733192

SCHEMBL7733192

CCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(C#N)c(F)c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
DHODH Q02127 1/20 0.32
MAOB P27338 2/20 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
SCHEMBL7731387 0.94 ALPL (0.34) ALPLALPITRPV4ALDH1A1MEN1
SCHEMBL7735367 0.93 TSHR (0.35) TRPV4ALDH1A1NPSR1HPGDSENP8
SCHEMBL7730680 0.92 MEN1 (0.37) ALPLALPITRPV4ALDH1A1MEN1
SCHEMBL7730801 0.92 HSD17B10 (0.39) ALDH1A1MEN1KMT2AKDM4ETHRB
SCHEMBL7731508 0.91 AR (0.32) TRPV4ALDH1A1ARKDM4EGLA
SCHEMBL7732804 0.91 AR (0.31) ALDH1A1CTSSCTSKARKDM4E
SCHEMBL7732816 0.90 TRPV4 (0.36) TRPV4ALDH1A1ARDHODH
SCHEMBL7734975 0.87 TSHR (0.34) TRPV4ALDH1A1NPSR1HPGDSENP8
SCHEMBL7733482 0.86 AR (0.39) TRPV4ALDH1A1CTSSCTSKAR
SCHEMBL7730381 0.86 DAO (0.33) TRPV4DHODHMAOB

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed