SCHEMBL4853079

SCHEMBL4853079

CC(C)(C)c1ccc(C(=O)O)c(F)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
CYP1A2 P05177 1/20 0.37
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXRB P28702 1/20 0.36
NOTUM Q6P988 5/20 0.35
NR1H4 Q96RI1 2/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
CYP2C19 P33261 1/20 0.35
DAO P14920 1/20 0.34
HAAO P46952 1/20 0.34
ALOX15 P16050 1/20 0.33
GLA P06280 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
SCHEMBL15459957 0.85 KDM4E (0.40) KDM4EASPHKDM8CYP1A2GLRA3
SCHEMBL6236049 0.82 CYP1A2 (0.41) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL17374983 0.81 CSNK2A1 (0.44) KDM4EASPHKDM8CYP1A2TDP1
SCHEMBL6905613 0.81 CYP1A2 (0.39) CYP1A2GLRA3GLRBTDP1RXRB
SCHEMBL17819730 0.80 KDM4E (0.37) KDM4EASPHKDM8CYP1A2GLRA3
SCHEMBL9387055 0.80 KDM4E (0.39) KDM4EASPHKDM8CYP1A2GLRA3
SCHEMBL753289 0.80 KEAP1 (0.46) KDM4EASPHKDM8CYP1A2TDP1
SCHEMBL4940867 0.79 GLRA3 (0.46) KDM4ECYP1A2GLRA3GLRBTDP1
SCHEMBL332091 0.79 GLRA3 (0.46) KDM4ECYP1A2GLRA3GLRBTDP1
SCHEMBL9080891 0.78 GLRA3 (0.44) KDM4ECYP1A2GLRA3GLRBTDP1

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-7371866-B2 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-05-13 US disclosed
US-20030216577-A1 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-11-20 US disclosed
EP-1362840-A1 Process for the preparation of aromatic and heteroaromatic carboxylic acids via catalytic ozonolysis DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-11-19 EP disclosed