SCHEMBL15040939

SCHEMBL15040939

CCN(C)c1ccc(C=O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.36
APP P05067 1/20 0.35
ALDH3A1 P30838 1/20 0.34
ALDH1A3 P47895 1/20 0.34
DPP4 P27487 1/20 0.33
CYP2A6 P11509 3/20 0.32
CYP2A13 Q16696 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL50725 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EAPPALDH3A1ALDH1A3
SCHEMBL13237821 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EAPPDPP4MAPT
SCHEMBL1959113 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EAPPDPP4CYP2A6
SCHEMBL1957123 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EDPP4L3MBTL1POLB
SCHEMBL3053124 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EAPPDPP4CYP2A6
SCHEMBL15040912 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHPGD
SCHEMBL16888821 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EAPPDPP4CYP2A6
SCHEMBL7647247 0.76 ALDH1A1 (0.43) ALDH1A1APPALDH3A1ALDH1A3DPP4
SCHEMBL14327712 0.75 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL13422457 0.74 ALDH1A1 (0.42) ALDH1A1APPALDH3A1ALDH1A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618217-A1 TONER FOR ELECTROPHOTOGRAPHY AND IMAGE-FORMING METHOD Konica Minolta Business Technologies, Inc. (JP) 2013-07-24 EP disclosed
US-20130157191-A1 TONER FOR ELECTROPHOTOGRAPHY AND IMAGE-FORMING METHOD KONICA MINOLAT BUSINESS TECHNOLOGIES, INC. (JP) 2013-06-20 US disclosed