SCHEMBL9800336

SCHEMBL9800336

C=CCc1c(O)cccc1OC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.39
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX5 P09917 1/20 0.35
AR P10275 1/20 0.35
PTGS1 P23219 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ELANE P08246 1/20 0.35
MTNR1A P48039 1/20 0.34
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
XDH P47989 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
AKR1B1 P15121 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH2 P05091 1/20 0.33
CNR1 P21554 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
SCHEMBL27668292 0.86 GABRA1 (0.38) SRD5A1GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL7781174 0.84 GABRA1 (0.41) SRD5A1GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL2479613 0.79 ALDH1A1 (0.52) GABRA1GABRB2ALDH1A1CYP3A4ALOX5
SCHEMBL3393697 0.79 GABRA1 (0.39) SRD5A1GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL4192226 0.78 HPGD (0.45) SRD5A1GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL69556 0.78 GABRA1 (0.48) SRD5A1GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL11048305 0.78 SRD5A1 (0.37) SRD5A1GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL11667005 0.77 TTR (0.42) ALDH1A1GAAXDHHPGDKMT2A
SCHEMBL460585 0.77 GABRA1 (0.43) GABRA1GABRB2ALDH1A1CYP3A4ALOX5
SCHEMBL6690957 0.77 GABRA1 (0.36) SRD5A1GABRA1GABRB2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104231198-B Aralkyl resorcinol aldehydes compound resin that m-phenylene diamine (MPD) is modified and preparation thereof and application 华奇(中国)化工有限公司 2016-09-07 CN disclosed
CN-104231198-A Aralkyl resorcinol aldehyde compound resin modified by m-phenylenediamine as well as preparation and application of aralkyl resorcinol aldehyde compound resin modified by m-phenylenediamine SINO LEGEND CHINA CHEMICAL CO LTD 2014-12-24 CN disclosed
CN-101235166-B Resorcin phenolic resin modified rubber composition SINO LEGEND ZHANGJIAGANG CHEMICALS CO LTD 2013-06-19 CN disclosed
CN-101649079-B Application of blend of resorcinol and m-aminophenol derivatives in rubber composition SINO LEGEND ZHANGJIAGANG CHEMICAL CO LTD 2012-06-06 CN disclosed
CN-101235165-B M-aminophenol modified aralkylresorcinol-aldehydes compound resin used for rubber formulation and application SINO LEGEND ZHANGJIAGANG CHEMICALS CO LTD 2010-08-11 CN disclosed
CN-101649079-A Application of blend of resorcinol and m-aminophenol derivatives in rubber composition SINO LEGEND ZHANGJIAGANG CHEMI 2010-02-17 CN disclosed
CN-101235165-A M-aminophenol modified aralkylresorcinol-aldehydes compound resin used for rubber formulation and application SINA ZHANGJIEGANG CHEMICALS CO (CN) 2008-08-06 CN disclosed
CN-101235166-A Resorcin phenolic resin modified rubber composition SINA ZHANGJIEGANG CHEMICALS CO (CN) 2008-08-06 CN disclosed
EP-0258479-B1 ROOM TEMPERATURE SETTING ADHESIVE COMPOSITION National Starch and Chemical Investment Holding Corporation (US) 1991-03-06 EP disclosed
US-4687809-A ACETOACETYLATED POLYVINYL ALCOHOL, COPOLYMER OF ACETOACETYLATED UNSATURATED MONOMER, RESORCINOL RESIN, HEXAMETHYLENETETRAMINE NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1987-08-18 US disclosed