SCHEMBL9893388

SCHEMBL9893388

CC(=O)OCCC([C]=O)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPBWR1 P48145 1/20 0.37
RAD52 P43351 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL9943711 0.92 ALDH1A1 (0.39) ALDH1A1HPGDCYP2C9CYP2C19HTT
SCHEMBL9893482 0.87 KDM4E (0.42) ALDH1A1HPGDCYP2C9CYP2C19HTT
SCHEMBL9943676 0.80 KDM4E (0.40) ALDH1A1HPGDHTTKDM4E
SCHEMBL3225199 0.78 CYP2C9 (0.43) ALDH1A1HPGDCYP2C9CYP2C19HTT
SCHEMBL9893408 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2
SCHEMBL9893968 0.76 NPBWR1 (0.38) ALDH1A1HPGDCYP2C9CYP2C19HTT
SCHEMBL3220283 0.76 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP2C19KDM4ESLC6A4
SCHEMBL143126 0.75 CYP2C9 (0.46) ALDH1A1HPGDCYP2C9CYP2C19HTT
SCHEMBL11842596 0.74 L3MBTL1 (0.42) ALDH1A1CYP2C9CYP2C19KDM4ESLC6A4
SCHEMBL27669570 0.71 NPBWR1 (0.41) ALDH1A1HPGDCYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9074020-B2 Cellulose derivative, resin composition, molded body, method for preparation thereof, and case for electric and electronic device FUJIFILM CORPORATION (JP) 2015-07-07 US disclosed
EP-2465874-B1 CELLULOSE DERIVATIVE, RESIN COMPOSITION, MOLDED ARTICLE AND PROCESS FOR PRODUCTION THEREOF, AND HOUSING FOR ELECTRIC AND ELECTRONIC DEVICE FUJIFILM CORP (JP) 2015-02-25 EP disclosed
EP-2465874-A1 CELLULOSE DERIVATIVE, RESIN COMPOSITION, MOLDED ARTICLE AND PROCESS FOR PRODUCTION THEREOF, AND HOUSING FOR ELECTRIC AND ELECTRONIC DEVICE FUJIFILM Corporation (JP) 2012-06-20 EP disclosed
US-20120146468-A1 CELLULOSE DERIVATIVE, RESIN COMPOSITION, MOLDED BODY, METHOD FOR PREPARATION THEREOF, AND CASE FOR ELECTRIC AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2012-06-14 US disclosed