SCHEMBL4850809

SCHEMBL4850809

CCOc1cc(OCC)c(C(=O)O)c(OCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
TSHR P16473 4/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 2/20 0.46
CASP6 P55212 1/20 0.46
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.44
PLA2G2A P14555 1/20 0.43
PLA2G4B P0C869 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL1515929 0.84 TSHR (0.59) TSHRHSD17B10POLBCASP6CYP3A4
SCHEMBL11798058 0.84 KDM4E (0.50) KDM4ETSHRHSD17B10POLBCYP3A4
SCHEMBL3625286 0.82 KMT2A (0.53) KDM4ETSHRHSD17B10POLBCASP6
SCHEMBL13215464 0.81 PLA2G2A (0.57) TSHRPLA2G2APLA2G4BTP53
SCHEMBL14341688 0.81 NR1H2 (0.50) KDM4ETSHRCYP3A4L3MBTL1ALDH1A1
SCHEMBL29196803 0.80 SLC5A1 (0.50) KDM4EHSD17B10POLBCYP3A4PLA2G4B
SCHEMBL1880513 0.79 ALDH1A1 (0.56) KDM4ETSHRHSD17B10POLBCYP3A4
SCHEMBL2799007 0.78 PTGS2 (0.44) KDM4ETSHRHSD17B10POLBPLA2G2A
SCHEMBL4849392 0.78 TSHR (0.51) KDM4ETSHRHSD17B10POLBCYP3A4
SCHEMBL21939119 0.78 TSHR (0.53) KDM4ETSHRHSD17B10POLBCASP6

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 5 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
WO-2005063385-A1 METHOD FOR OXIDIZING SATURATED HYDROCARBONS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 WO 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
US-3936462-A CNS DEPRESSANT, ANALGESIC STERLING DRUG INC. (US) 1976-02-03 US disclosed