SCHEMBL28844875

SCHEMBL28844875

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
FFAR4 Q5NUL3 11/20 0.35
FFAR1 O14842 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
AR P10275 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
SCHEMBL4424759 0.83 ALDH1A1 (0.36) SMN1; SMN2GAATSHR
SCHEMBL4851484 0.83 NR4A1 (0.37) SMN1; SMN2FFAR4GAAAR
SCHEMBL8733142 0.82
SCHEMBL6666750 0.79 CYP3A4 (0.41) SMN1; SMN2GAATSHRAR
SCHEMBL3789315 0.79 ALOX15 (0.41) SMN1; SMN2POLBGAATSHR
SCHEMBL28844795 0.79 CYP3A4 (0.44) GAATSHR
SCHEMBL14721886 0.79
SCHEMBL15727014 0.76 GLA (0.32) GLAPOLBGAATSHR
SCHEMBL22326115 0.76 ESR1 (0.43) SMN1; SMN2FFAR4FFAR1GLAPOLB
SCHEMBL30868019 0.76 GAA (0.47) SMN1; SMN2FFAR4FFAR1GLAPOLB

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