SCHEMBL9713896

SCHEMBL9713896

OCCOc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.59
FFAR1 O14842 4/20 0.59
ALDH1A1 P00352 1/20 0.53
RECQL P46063 1/20 0.53
MMP14 P50281 2/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
LTA4H P09960 2/20 0.43
PLA2G2A P14555 1/20 0.43
GAA P10253 1/20 0.42
CACNA1B Q00975 1/20 0.42
MGLL Q99685 1/20 0.41

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
SCHEMBL9869869 0.88 FFAR1 (0.53) FFAR4FFAR1MMP14MMP2MMP3
SCHEMBL1861445 0.88 ALDH1A1 (0.57) FFAR4FFAR1ALDH1A1RECQL
SCHEMBL9713406 0.84 ALDH1A1 (0.48) FFAR4FFAR1ALDH1A1RECQLLTA4H
SCHEMBL9511199 0.83 LTA4H (0.66) FFAR4FFAR1ALDH1A1MMP14MMP2
SCHEMBL10877820 0.82 LTA4H (0.54) ALDH1A1RECQLLTA4HGAACACNA1B
SCHEMBL9502838 0.82 LTA4H (0.54) FFAR4FFAR1MMP14MMP2MMP3
SCHEMBL6290496 0.82 ALDH1A1 (0.54) FFAR4FFAR1ALDH1A1MMP14MMP2
SCHEMBL6289347 0.82 ALDH1A1 (0.54) FFAR4FFAR1ALDH1A1MMP14MMP2
Alcohol SCHEMBL10452214 0.80 NR1I2 (0.49) FFAR4FFAR1ALDH1A1RECQLLTA4H
SCHEMBL10877355 0.80 ALDH1A1 (0.57) FFAR4FFAR1ALDH1A1RECQLLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0246713-B1 INTERMEDIATES FOR THE PRODUCTION OF NITROGEN-CONTAINING SUBSTITUTED HETEROCYCLIC COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-04 EP disclosed
US-4625048-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1986-11-25 US disclosed
EP-0072475-B1 CARBAMIC ESTERS, PREPARATION THEREOF, PESTICIDAL COMPOSITIONS ON THE BASIS OF THESE COMPOUNDS AND THEIR USE IN COMBATING PESTS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-08-20 EP disclosed
EP-0072475-A2 Carbamic esters, preparation thereof, pesticidal compositions on the basis of these compounds and their use in combating pests F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-02-23 EP disclosed