SCHEMBL16709686

SCHEMBL16709686

C=CC(=O)OC(C)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.38
SLC6A4 P31645 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 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
SCHEMBL16709781 0.88 HCAR2 (0.41) HCAR2ALDH1A1HPGDSLC6A4TSHR
SCHEMBL16709775 0.88 HCAR2 (0.43) HCAR2ALDH1A1HPGDTHRBMCL1
SCHEMBL41557 0.86 HCAR2 (0.67) HCAR2ALDH1A1HPGDTHRBTP53
SCHEMBL28863896 0.86 HCAR2 (0.67) HCAR2ALDH1A1HPGDTHRBTP53
SCHEMBL16709719 0.85 ALDH1A1 (0.41) HCAR2ALDH1A1HPGDTHRBSLC6A4
SCHEMBL6536970 0.84 HCAR2 (0.53) HCAR2ALDH1A1HPGDTHRBTSHR
SCHEMBL16709800 0.84 ALDH1A1 (0.40) HCAR2ALDH1A1HPGDTHRBCHRNA7
SCHEMBL27132119 0.83 HCAR2 (0.55) HCAR2NAAAPTGS2
SCHEMBL28077544 0.81 HCAR2 (0.61) HCAR2ALDH1A1THRBTP53HSD17B10
SCHEMBL16709742 0.81 ALDH1A1 (0.37) HCAR2ALDH1A1HPGDTHRBSLC6A4

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
WO-2015068839-A1 POLYMERIZABLE COMPOUND, RESIN COMPOSITION USING SAME, CURED RESIN, AND OPTICAL MATERIAL 新日鉄住金化学株式会社 2015-05-14 WO disclosed