SCHEMBL7196138

SCHEMBL7196138

O=Cc1ccc2cc(C(=O)OCCO)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
BRD4 O60885 1/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL465188 0.87 HRH3 (0.50) SLC7A5HRH3DRD3ALDH1A1ADRB2
SCHEMBL1643966 0.84 ALDH1A1 (0.56) HRH3ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9921935 0.83 CA12 (0.53) ALDH1A1KDM4EPOLB
SCHEMBL14707366 0.82 HRH3 (0.50) SLC7A5HRH3DRD3ALDH1A1ADRB2
SCHEMBL16606218 0.81 HRH3 (0.59) SLC7A5HRH3DRD3ALDH1A1ADRB2
SCHEMBL7156008 0.81 KDM4E (0.50) SLC7A5HRH3DRD3ALDH1A1KDM4E
SCHEMBL30741570 0.81 KDM4E (0.50) SLC7A5HRH3DRD3ALDH1A1KDM4E
SCHEMBL9814333 0.80 PTPN11 (0.53) HRH3DRD3ALDH1A1ADRB2ADRB1
SCHEMBL692402 0.78 KMT2A (0.55) ALDH1A1KDM4E
SCHEMBL7194152 0.78 CYP2A6 (0.49) SLC7A5HRH3DRD3ALDH1A1ADRB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748525-B2 Polyester film and method of fabricating the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-06-10 US disclosed
US-20120149830-A1 POLYESTER FILM AND METHOD OF FABRICATING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-06-14 US disclosed
US-6642407-B2 Esterifying the crude aryldicarboxylic acid with an alcohol, removing volatile impurities from the esterification effluent by distillation and separating the aryldicarboxylic acid ester from said effluent EXXON MOBIL CHEMICAL PATENTS INC. 2003-11-04 US disclosed
WO-2002094757-A1 PRODUCTION, PURIFICATION AND POLYMERIZATION OF DICARBOXYLIC ACIDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-11-28 WO disclosed
US-20020173674-A1 Production, purification and polymerization of aromatic dicarboxylic acids EXXONMOBIL CHEMICAL PATENTS, INC. 2002-11-21 US disclosed
US-20020173673-A1 Production, purification and polymerization of aromatic dicarboxylic acids EXXONMOBIL CHEMICAL PATENTS, INC. 2002-11-21 US disclosed