SCHEMBL9507544

SCHEMBL9507544

COC(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
TTR P02766 1/20 0.55
PPOX P50336 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
FFAR1 O14842 5/20 0.51
MRGPRX4 Q96LA9 4/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 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
SCHEMBL9507539 0.92 FFAR1 (0.48) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9507497 0.92 FFAR1 (0.48) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9507486 0.91 MEN1 (0.58) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9504842 0.90 MEN1 (0.53) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9503637 0.90 MEN1 (0.53) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11442480 0.89 FFAR1 (0.52) MEN1TTRPPOXKMT2ATDP1
SCHEMBL11258317 0.89 FFAR1 (0.54) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9503643 0.89 FFAR1 (0.46) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9507500 0.88 FFAR1 (0.45) MEN1TTRPPOXKMT2ATDP1
SCHEMBL9503642 0.88 FFAR1 (0.48) MEN1TTRPPOXKMT2ATDP1

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-0281103-B1 PHENOXYCARBOXYLIC ACID COMPOUNDS AND HERBICIDE COMPRISING IT AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1993-06-23 EP disclosed
EP-0442172-A1 Oxime derivatives and Herbicides containing the same as an active ingredient TEIJIN LIMITED (JP) 1991-08-21 EP disclosed
EP-0433451-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-06-26 EP disclosed
WO-1990001874-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1990-03-08 WO disclosed
US-4845264-A PRE- AND POST-EMERGENCE FOR BROAD-LEAVED WEEDS TEIJIN LIMITED (JP) 1989-07-04 US disclosed
EP-0281103-A2 Phenoxycarboxylic acid compounds and herbicide comprising it as active ingredient TEIJIN LIMITED (JP) 1988-09-07 EP disclosed