SCHEMBL2149591

SCHEMBL2149591

[O]c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.54
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PKM P14618 2/20 0.44
PLAU P00749 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
GCK P35557 1/20 0.41
GCKR Q14397 1/20 0.41
MEN1 O00255 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
CASP3 P42574 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
SCHEMBL6176174 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL10757128 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL11558383 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL9727631 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL10963741 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6977861 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176528 0.81 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8545370 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177219 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6967259 0.78 FGFR4 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1

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
EP-1081228-B1 Process for producing carboxylic acid isomer SUMITOMO CHEMICAL CO (JP) 2011-07-13 EP disclosed
US-6365399-B1 EFFICIENT PROCESS FOR PRODUCTION OF CHEMICAL INTERMEDIATES OF DRUGS AND AGRICULTURAL CHEMICALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-02 US disclosed
EP-1081228-A2 Process for producing carboxylic acid isomer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-07 EP disclosed