SCHEMBL27488164

SCHEMBL27488164

COc1cc(CCCC(C)=O)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.68
MTNR1B P49286 1/20 0.68
ALOX5 P09917 3/20 0.66
OR51E2 Q9H255 1/20 0.66
TAAR1 Q96RJ0 2/20 0.61
TSHR P16473 2/20 0.61
MAPK1 P28482 1/20 0.61
CYP3A4 P08684 5/20 0.60
CYP2C8 P10632 5/20 0.60
CYP2C9 P11712 5/20 0.60
CYP2B6 P20813 5/20 0.60
CYP2C19 P33261 5/20 0.60
CYP1A2 P05177 4/20 0.60
LMNA P02545 1/20 0.59
GLA P06280 1/20 0.59
TRPV1 Q8NER1 3/20 0.59
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
NFKB1 P19838 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
Zingerone SCHEMBL14763994 0.90 ALOX5 (0.74) MTNR1AMTNR1BALOX5OR51E2TAAR1
Zingerone SCHEMBL29828498 0.90 ALOX5 (0.74) MTNR1AMTNR1BALOX5OR51E2TAAR1
Zingerone SCHEMBL119051 0.90 ALOX5 (0.74) MTNR1AMTNR1BALOX5OR51E2TAAR1
Zingerone SCHEMBL29378477 0.90 ALOX5 (0.74) MTNR1AMTNR1BALOX5OR51E2TAAR1
SCHEMBL10738270 0.89 ALOX5 (0.75) MTNR1AMTNR1BALOX5OR51E2TAAR1
SCHEMBL5723843 0.88 ALOX5 (0.66) MTNR1AMTNR1BALOX5OR51E2TAAR1
SCHEMBL3175165 0.88 TSHR (0.67) MTNR1AMTNR1BALOX5OR51E2TAAR1
SCHEMBL5182644 0.87 PLAAT3 (0.58) CYP3A4CYP1A2ALDH1A1LTA4HCYP2D6
SCHEMBL5072123 0.85 TAAR1 (0.76) MTNR1AMTNR1BALOX5OR51E2TAAR1
SCHEMBL9281549 0.85 TAAR1 (0.76) MTNR1AMTNR1BALOX5OR51E2TAAR1

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
CN-1259863-A Therapeutically active compositions RECKITT & COLMANN PROD LTD (GB) 2000-07-12 CN claimed
CN-104470494-B Aqueous silicone dispersions and preparation thereof 道康宁公司 2018-04-10 CN disclosed
CN-104395377-B Aqueous silicone dispersions and films and their preparation 道康宁公司 2017-02-22 CN disclosed
CN-104470494-A Aqueous silicone dispersions and preparation thereof DOW CORNING 2015-03-25 CN disclosed
CN-1198594-C Therapeutically active compositions RECKITT BENKERSL HEALTH CARE B (GB) 2005-04-27 CN disclosed
CN-1259863-A Therapeutically active compositions RECKITT & COLMANN PROD LTD (GB) 2000-07-12 CN disclosed