SCHEMBL9475591

SCHEMBL9475591

FC(F)(F)C(F)(F)C(F)(F)c1ccc(S)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
IDO1 P14902 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL2092992 0.84 TRPV4 (0.36) TRPV4IDO1ESR1ESR2
SCHEMBL28943097 0.79 ALDH1A1 (0.46) IDO1
SCHEMBL673282 0.76 LMNA (0.43) ESR1ESR2
SCHEMBL19523009 0.75 TSHR (0.48) TRPV4IDO1ESR1ESR2
SCHEMBL1119510 0.75 ESR1 (0.31) ESR1ESR2
SCHEMBL5068336 0.75 ESR1 (0.58) ESR1ESR2
SCHEMBL14577302 0.75 CA1 (0.43) ESR1ESR2
SCHEMBL14576987 0.75 TRPV1 (0.36) ESR1ESR2
SCHEMBL18242205 0.75 PGK1 (0.31) ESR1ESR2
SCHEMBL8176042 0.75 KIF11 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254578-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1993-10-19 US disclosed
US-5247022-A Housings, automobiles; heat resistance, stability BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed
EP-0482931-A1 Benzopyran derivatives having anti-hypertensive and vasodilatory activity, their preparation and their therapeutic use Sankyo Company Limited (JP) 1992-04-29 EP disclosed