SCHEMBL19681291

SCHEMBL19681291

Bc1cc(O)c(F)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
ADRB2 P07550 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL19446354 0.82 KDM4E (0.32) CYP3A4HSD17B10
SCHEMBL14532107 0.77 CA3 (0.35) CA9CA3CA6CA5ACA14
SCHEMBL19681308 0.77 TP53 (0.38) CA1CYP3A4HSD17B10
SCHEMBL19681305 0.73
SCHEMBL28611375 0.73 CA9 (0.50) CA9CA3CA6CA5ACA14
SCHEMBL6634785 0.73 CA9 (0.50) CA9CA3CA6CA5ACA14
SCHEMBL516276 0.69 CA9 (0.37) CA9CA3CA6CA5ACA14
SCHEMBL30749677 0.69 ADRA2A (0.35) CA9CA3CA6CA5ACA14
SCHEMBL16302570 0.69
SCHEMBL10067571 0.69 ESR1 (0.37) CA9CA3CA6CA5ACA14

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019030872-A1 HAIR TREATMENT METHOD 花王株式会社 2019-02-14 WO disclosed
WO-2017207768-A1 METHOD FOR TREATING HAIR KAO CORPORATION (JP) 2017-12-07 WO disclosed
WO-2017207799-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2017-12-07 WO disclosed
WO-2017207786-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2017-12-07 WO disclosed
WO-2017207767-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2017-12-07 WO disclosed