SCHEMBL24061950

SCHEMBL24061950

Cc1ccc(C(F)(F)Oc2cc(F)c(C#N)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.37
TRPV4 Q9HBA0 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
KIF11 P52732 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
PDE9A O76083 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
SCHEMBL21095848 0.90 KIF11 (0.36) ARALDH1A1GLAGAAHPGD
SCHEMBL12829127 0.83 KIF11 (0.35) KIF11SMN1; SMN2
SCHEMBL18265626 0.83 KIF11 (0.35) KIF11SMN1; SMN2
SCHEMBL16604334 0.83 KIF11 (0.47) ARALDH1A1GAAKIF11LMNA
SCHEMBL13199009 0.82 AR (0.38) ARTRPV4ALDH1A1GLAGAA
SCHEMBL15605539 0.82 CYP11B2 (0.40) ALDH1A1GLAGAAHPGDKIF11
SCHEMBL18887633 0.82 TRPV4 (0.34) ARTRPV4ALDH1A1GLAGAA
SCHEMBL14768754 0.81 KIF11 (0.36) ARALDH1A1GLAGAAHPGD
SCHEMBL18887791 0.81 HPGD (0.37) ARALDH1A1GLAGAAHPGD
SCHEMBL21498301 0.81 TRPV4 (0.38) ARTRPV4HTT

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-3117288-B1 ELECTRO-RHEOLOGICAL FLUID AND HAPTIC DEVICE MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed