SCHEMBL5014091

SCHEMBL5014091

C=Cc1ccccc1C(Oc1ccccc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
PPARG P37231 11/20 0.36
PPARA Q07869 8/20 0.36
CHRM1 P11229 1/20 0.35
HTT P42858 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TGM2 P21980 1/20 0.33

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
SCHEMBL2357299 0.78 POLB (0.40) MTNR1AMTNR1BCYP2C19CYP1A2GAA
SCHEMBL28781714 0.77 MTNR1A (0.43) MTNR1AMTNR1BCYP2C19CYP1A2GAA
SCHEMBL11376459 0.75 LMNA (0.48) CYP2C19PKMALDH1A1TGM2
SCHEMBL29407902 0.73 MEN1 (0.39) CYP2C19CYP1A2CYP2C9PKMALDH1A1
SCHEMBL2928008 0.73 PTGS2 (0.43) CYP2C19KDM4EALDH1A1
SCHEMBL2802851 0.73 CYP1A2 (0.37) CYP2C19CYP1A2ALDH1A1TGM2
SCHEMBL7598371 0.73 MEN1 (0.39) CYP2C19CYP1A2CYP2C9PKMALDH1A1
SCHEMBL8369180 0.72 PPARG (0.48) CYP2C19CYP1A2CYP2C9PPARGPPARA
SCHEMBL13324879 0.71 KDM4E (0.55) GAAPPARGPPARACHRM1KDM4E
SCHEMBL660871 0.71 KDM4E (0.55) GAAPPARGPPARACHRM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3075751-B1 POLYMER CONTAINING CARBOXYL GROUP AND USE THEREOF ASYMCHEM LAB TIANJIN CO LTD (CN) 2019-10-23 EP disclosed
US-8283413-B2 ink-jet ink; improved stability and dispersibility; polymerized hydrophobic acid-functionalized monomer includes 2-(benzyloxycarbonylmethyl)acrylic acid HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2012-10-09 US disclosed
US-20080182934-A1 Acid-functionalized hydrophobic monomer emulsions, latexes, and associated latexes HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-07-31 US disclosed