SCHEMBL9501454

SCHEMBL9501454

O=CC(=O)c1ccc(-c2ccc(Cl)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TMPRSS4 Q9NRS4 6/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
SCN9A Q15858 1/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
POLQ O75417 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 1/20 0.36
SRD5A1 P18405 1/20 0.36

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
SCHEMBL2645358 0.79 TAS1R3 (0.47)
SCHEMBL30867127 0.78 TSHR (0.54) RAB9ACYP1A2CYP2D6CYP2C19KDM4C
SCHEMBL30892335 0.73 GLA (0.45) RAB9ACYP1A2CYP2D6CYP2C19GLA
SCHEMBL278277 0.73 GLA (0.45) RAB9ACYP1A2CYP2D6CYP2C19GLA
SCHEMBL9501048 0.73 SRD5A2 (0.38) RAB9ATSHRTP53SRD5A1SRD5A2
SCHEMBL10554190 0.73 GRM2 (0.41) CYP1A2CYP2C19KDM4EMAPTSRD5A1
SCHEMBL2866317 0.72 TDP1 (0.46) RAB9ACYP1A2KDM4ETSHRTP53
SCHEMBL10881838 0.72 VCAM1 (0.46) RAB9APOLBTSHRMAPTSMN1; SMN2
SCHEMBL336261 0.71 ADH5 (0.54) KDM4EGLAPOLBGAATSHR
SCHEMBL8984336 0.70 TDP1 (0.44) RAB9ACYP1A2KDM4ETSHRTP53

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-0322788-B1 MELT-PROCESSABLE AROMATIC POLYESTERAMIDES HAVING REPEATING 2,2'-SUBSTITUTED BIPHENYLENE RADICALS POLAROID CORPORATION (US) 1993-04-28 EP disclosed
EP-0322788-A2 Melt-processable aromatic polyesteramides having repeating 2,2'-substituted biphenylene radicals POLAROID CORPORATION (US) 1989-07-05 EP disclosed
US-4843141-A HIGH STREENGTH FILMS AND FIBERS POLAROID CORPORATION, PATENT DEPARTMENT (US) 1989-06-27 US disclosed
US-4628125-A POLYESTERS, FILMS, FIBERS POLAROID CORPORATION, PATENT DEPT. (US) 1986-12-09 US disclosed
US-4608429-A Low-melting aromatic polyesters with repeating 2,2'-substituted-biphenylene radicals POLAROID CORPORATION, PATENT DEPT. (US) 1986-08-26 US disclosed
US-4433132-A MOLECULAT ORIENTATED FILMS AND FIBERS POLAROID CORPORATION (US) 1984-02-21 US disclosed