SCHEMBL3205223

SCHEMBL3205223

COc1ccccc1C(C)(N)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
ADRA2B P18089 1/20 0.45
PTGS1 P23219 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NR3C2 P08235 1/20 0.42
ENPP2 Q13822 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ORAI1 Q96D31 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
SCHEMBL29472193 0.83 CA1 (0.52) CASRCA1CA2CA7CA9
SCHEMBL9326049 0.83 CASR (0.57) CASRCA1CA2CA7CA9
SCHEMBL2951312 0.83 CA1 (0.52) CASRCA1CA2CA7CA9
SCHEMBL4631777 0.83 CA1 (0.52) CASRCA1CA2CA7CA9
SCHEMBL8784494 0.80 CA1 (0.55) CASRCA1CA2CA7CA9
SCHEMBL3978964 0.79 CA1 (0.48) CASRCA1CA2CA7CA9
SCHEMBL28308633 0.79 CA1 (0.48) CASRCA1CA2CA7CA9
SCHEMBL6888230 0.79 ATM (0.46) CASRCA1CA2CA7CA9
SCHEMBL19468259 0.78 CA1 (0.57) CASRCA1CA2CA7CA9
SCHEMBL30948566 0.78 CA1 (0.57) CASRCA1CA2CA7CA9

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
US-7815692-B1 Hair coloring compositions Universal Beauty Products, Inc. (US) 2010-10-19 US disclosed