SCHEMBL28057308

SCHEMBL28057308

Cc1cccc(OC(=O)C(O)CC(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.42
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL27489487 0.78 POLB (0.48) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL10610842 0.78 POLB (0.50) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL27686558 0.76 GAA (0.43) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL10425437 0.75 POLB (0.54) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL10391922 0.75 KDM4E (0.54) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL24045978 0.75 KDM4E (0.41) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL29409819 0.75 TDP1 (0.51) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL1837507 0.75 POLB (0.57) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1265152 0.74 PPARG (0.51) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL1750794 0.74 POLB (0.53) POLBMEN1KMT2AALDH1A1CYP1A2

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
CN-105452310-A Polymerizable composition for high-refractive-index optical material and method for producing high-refractive-index optical material KOC SOLUTION CO LTD 2016-03-30 CN claimed
CN-105452310-A Polymerizable composition for high-refractive-index optical material and method for producing high-refractive-index optical material KOC SOLUTION CO LTD 2016-03-30 CN disclosed