SCHEMBL6809980

SCHEMBL6809980

CCOc1cc(CCO)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
ALOX5 P09917 2/20 0.55
BACE1 P56817 1/20 0.55
TSHR P16473 3/20 0.52
KMT2A Q03164 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
CALM1 P0DP23 3/20 0.48
PTPN1 P18031 1/20 0.47
TOP2A P11388 1/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL426433 0.87 CNR1 (0.58) ALDH1A1KDM4EGAAMAPTALOX5
SCHEMBL11022505 0.86 KDM4E (0.55) ALDH1A1KDM4EGAAMAPTALOX5
SCHEMBL12788915 0.86 TSHR (0.69) ALDH1A1KDM4EGAAMAPTBACE1
SCHEMBL586875 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL31412813 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL9026143 0.85 S1PR1 (0.56) ALDH1A1GAAMAPTTSHRKMT2A
SCHEMBL10757759 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EGAAMAPTALOX5
SCHEMBL18328794 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL27935838 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EGAAMAPTALOX5
SCHEMBL20399514 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EGAAMAPTTSHR

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
EP-2723841-A1 PERFUME SYSTEMS The Procter and Gamble Company (US) 2014-04-30 EP claimed
WO-2012177357-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2012-12-27 WO claimed
EP-0137419-B1 PERFUME COMPOSITIONS CONTAINING BENZYL ETHERS L. GIVAUDAN & CIE Société Anonyme (CH) 1987-08-12 EP claimed
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed