SCHEMBL821894

SCHEMBL821894

C=CC(=O)Oc1cc(C)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 1/20 0.44
CSNK2A1 P68400 1/20 0.43
ALDH1A1 P00352 5/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
THRB P10828 2/20 0.38
TSHR P16473 2/20 0.38
THRA P10827 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
GGT1 P19440 1/20 0.38

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
SCHEMBL26113537 0.87 CSNK2A1 (0.47) KDM4EHPGDHSD17B10MAPTCSNK2A1
SCHEMBL27464291 0.85 TSHR (0.46) HPGDHSD17B10MAPTUSP2LMNA
SCHEMBL27671452 0.84 MAPT (0.52) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL30996459 0.83 ALDH1A1 (0.43) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL14690252 0.83 MAPT (0.45) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL30682403 0.83 MAPT (0.45) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL10533244 0.82 ESR1 (0.58) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL29217583 0.82 KDM4E (0.45) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL1468631 0.81 ALDH1A1 (0.58) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL29944734 0.81 ALDH1A1 (0.58) KDM4EHPGDHSD17B10MAPTALDH1A1

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-8664335-B2 Thermally crosslinked polymeric compositions and methods of making the same GEORGIA TECH RESEARCH CORPORATION (US) 2014-03-04 US disclosed
US-20110269915-A1 THERMALLY CROSSLINKED POLYMERIC COMPOSITIONS AND METHODS OF MAKING THE SAME GEORGIA TECH RESEARCH CORPORATION (US) 2011-11-03 US disclosed
WO-2010005734-A1 THERMALLY CROSSLINKED POLYMERIC COMPOSITIONS AND METHODS OF MAKING THE SAME GEORGIA TECH RESEARCH CORPORATION (US) 2010-01-14 WO disclosed