SCHEMBL28844796

SCHEMBL28844796

Nc1ccc(C(F)(C(F)F)C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
TSHR P16473 5/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
ESR2 Q92731 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL4424761 0.83 ALDH1A1 (0.36) CYP3A4TSHRALDH1A1THRBHPGD
SCHEMBL4200965 0.80 CYP3A4 (0.42) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL28844880 0.79 FFAR4 (0.38) TSHRALDH1A1HPGDHSD17B10GAA
SCHEMBL27600779 0.79 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10
SCHEMBL8809021 0.79 HSD17B10 (0.41) CYP3A4TSHRALDH1A1ESR2HPGD
SCHEMBL28445611 0.79 TSHR (0.41) TSHRESR2HSD17B10CA1CA2
SCHEMBL5958724 0.77 TSHR (0.46) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL9772291 0.77 TSHR (0.46) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL6691030 0.77 TSHR (0.46) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL31053156 0.77 CYP3A4 (0.50) CYP3A4TSHRALDH1A1MAPK1ESR2

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
CN-107817649-B Photosensitive resin composition, polyamide resin and method for producing same, compound and method for producing same, cured film and method for producing same 东京应化工业株式会社 2022-09-16 CN disclosed