SCHEMBL11299574

SCHEMBL11299574

COC(=O)C(OC)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
TSHR P16473 3/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL6354460 0.84 CA12 (0.47) GABRA1GABRB2TSHRKMT2ACA1
SCHEMBL27901422 0.81 ALDH1A1 (0.57) GABRA1GABRB2TSHRKMT2ALMNA
SCHEMBL28261816 0.80 ALDH1A1 (0.46) TSHRKMT2AALDH1A1GAA
SCHEMBL17724584 0.80 ALDH1A1 (0.50) KMT2ALMNAALDH1A1GAA
SCHEMBL19305429 0.80 ALDH1A1 (0.50) KMT2ALMNAALDH1A1GAA
SCHEMBL1345444 0.79 GABRA1 (0.52) GABRA1GABRB2TSHRKMT2ALMNA
SCHEMBL18177743 0.79 GABRA1 (0.47) GABRA1GABRB2TSHRKMT2ALMNA
SCHEMBL31517035 0.79 GABRA1 (0.52) GABRA1GABRB2TSHRKMT2ALMNA
SCHEMBL712585 0.79 KMT2A (0.50) GABRA1GABRB2TSHRKMT2ALMNA
SCHEMBL29598164 0.79 KMT2A (0.50) GABRA1GABRB2TSHRKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56005439-A None JP disclosed
JP-S565439-A ETHER OF ALPHA-OXY-HYDROXYPHENYLACETIC ACID ESTER AND ITS PREPARATION MITSUI PETROCHEM IND LTD 1981-01-20 JP disclosed