SCHEMBL28844880

SCHEMBL28844880

Nc1ccc(C(F)(C(F)F)C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.38
FFAR1 O14842 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 3/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CES2 O00748 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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) SMN1; SMN2GAATSHRALDH1A1PKM
SCHEMBL8405564 0.83 L3MBTL1 (0.38) FFAR4FFAR1SMN1; SMN2ARGAA
SCHEMBL27600779 0.82 ALDH1A1 (0.32) ALDH1A1PKMBACE1KDM4EHPGD
SCHEMBL21727462 0.81 FFAR4 (0.39) FFAR4FFAR1SMN1; SMN2ARGLA
SCHEMBL4200965 0.80 CYP3A4 (0.42) SMN1; SMN2ARTSHRALDH1A1PKM
SCHEMBL14721887 0.79 ALDH1A1 (0.35) GAAALDH1A1PKMBACE1KDM4E
SCHEMBL28844796 0.79 CYP3A4 (0.41) ARPOLBGAATSHRALDH1A1
SCHEMBL8809021 0.79 HSD17B10 (0.41) SMN1; SMN2ARPOLBGAATSHR
SCHEMBL185847 0.78 CES2 (0.50) FFAR4FFAR1GLAPOLBGAA
SCHEMBL6668409 0.77 FFAR4 (0.41) FFAR4FFAR1SMN1; SMN2ARGLA

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