SCHEMBL4430140

SCHEMBL4430140

COC(=O)Cc1ccc(OCc2ccccc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
TP53 P04637 2/20 0.51
USP2 O75604 1/20 0.51
FOLH1 Q04609 1/20 0.49
PPARG P37231 4/20 0.48
PPARA Q07869 4/20 0.48
ESR1 P03372 2/20 0.48
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
VDR P11473 2/20 0.48
RXRA P19793 2/20 0.48
PPARD Q03181 2/20 0.48
ESR2 Q92731 2/20 0.48
HTT P42858 1/20 0.48
ALOX5 P09917 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2801838 0.89 ALDH1A1 (0.52) NPC1ALDH1A1RAB9APPARGPPARA
SCHEMBL2552269 0.86 FOLH1 (0.53) TP53USP2FOLH1HTTALOX5
SCHEMBL4417759 0.85 ALDH1A1 (0.48) NPC1ALDH1A1RAB9APPARGPPARA
Methane SCHEMBL10567951 0.85 FOLH1 (0.52) TP53USP2FOLH1HTTALOX5
SCHEMBL3500378 0.84 NR1H2 (0.52) NPC1ALDH1A1RAB9APPARGPPARA
SCHEMBL6295627 0.83 MAOB (0.61) NPC1ALDH1A1RAB9APPARGPPARA
SCHEMBL5989548 0.83 RXRA (0.59) NPC1RAB9ATP53FOLH1PPARG
SCHEMBL392863 0.83 ALOX5 (0.66) NPC1ALDH1A1RAB9AALOX5
SCHEMBL29215741 0.83 HCAR2 (0.59) NPC1RAB9ATP53USP2FOLH1
SCHEMBL6242662 0.83 FFAR1 (0.64) NPC1ALDH1A1RAB9APPARGPPARA

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-2058294-B1 METHOD FOR PRODUCING 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER SUMITOMO CHEMICAL CO (JP) 2013-01-02 EP claimed
EP-2058294-B1 METHOD FOR PRODUCING 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER SUMITOMO CHEMICAL CO (JP) 2013-01-02 EP disclosed
EP-2058294-A1 2-(4-METHOXYCARBONYLMETHYLPHENOXYMETHYL)BENZOIC ACID METHYL ESTER AND METHOD FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2009-05-13 EP disclosed