SCHEMBL6096882

SCHEMBL6096882

COOC(=O)c1ccccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CTSD P07339 1/20 0.55
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
XBP1 P17861 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
STAT3 P40763 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL48968 0.92 HPGD (0.59) MAPTNPSR1HPGDALDH1A1CTSD
SCHEMBL27865356 0.85 TSHR (0.58) MAPTALDH1A1NPC1TSHRMAPK1
SCHEMBL7632556 0.85 HPGD (0.53) MAPTNPSR1HPGDALDH1A1CTSD
SCHEMBL7629471 0.85 HPGD (0.53) MAPTNPSR1HPGDALDH1A1CTSD
SCHEMBL10912310 0.85 KDM4E (0.56) MAPTNPSR1HPGDALDH1A1ESR1
Methyl 2-Methoxybenzoate SCHEMBL196037 0.83 TSHR (0.69) MAPTNPSR1HPGDALDH1A1CTSD
SCHEMBL446339 0.83 HPGD (0.59) MAPTNPSR1HPGDALDH1A1CTSD
Methyl 2-Methoxybenzoate SCHEMBL29702077 0.83 TSHR (0.69) MAPTNPSR1HPGDALDH1A1CTSD
SCHEMBL383183 0.83 HPGD (0.59) MAPTNPSR1HPGDALDH1A1CTSD
SCHEMBL14803675 0.83 LMNA (0.61) MAPTNPSR1HPGDALDH1A1CTSD

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
US-7053218-B2 Process for regioselective demethylation of p-methoxy group in phenolic ester and diaryl ketone moieties COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-05-30 US disclosed
EP-1112327-A1 ELECTRODEPOSITABLE COATING COMPOSITIONS COMPRISING ONIUM SALT GROUP-CONTAINING POLYMERS PREPARED BY ATOM TRANSFER RADICAL POLYMERIZATION PPG Industries Ohio, Inc. (US) 2001-07-04 EP disclosed
WO-2000012636-A1 ELECTRODEPOSITABLE COATING COMPOSITIONS COMPRISING ONIUM SALT GROUP-CONTAINING POLYMERS PREPARED BY ATOM TRANSFER RADICAL POLYMERIZATION PPG INDUSTRIES OHIO, INC. (US) 2000-03-09 WO disclosed