SCHEMBL4878055

SCHEMBL4878055

COc1ccc(C=CC(=O)N(C)CCc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.62
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.57
NFE2L2 Q16236 1/20 0.57
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP3A4 P08684 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
BCHE P06276 1/20 0.53
MAOA P21397 1/20 0.53
ACHE P22303 1/20 0.53

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
SCHEMBL4878047 1.00 APP (0.62) APPALDH1A1LMNANFE2L2KDM4E
SCHEMBL8828421 0.91 CYP3A4 (0.56) APPALDH1A1LMNANFE2L2KDM4E
SCHEMBL14148789 0.87 L3MBTL1 (0.57) APPSMN1; SMN2MAPTABCG2
SCHEMBL29407319 0.87 L3MBTL1 (0.61) APPALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL14148791 0.87 L3MBTL1 (0.61) APPALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL6166697 0.84 CYP1A1 (0.58) ALDH1A1LMNAKDM4EMAPK1CYP3A4
SCHEMBL6166690 0.84 CYP1A1 (0.58) ALDH1A1LMNAKDM4EMAPK1CYP3A4
SCHEMBL8828181 0.83 CYP3A4 (0.52) APPALDH1A1LMNAKDM4EMAPK1
SCHEMBL4410623 0.81 CNR2 (0.69) APPKDM4EACHE
SCHEMBL4410626 0.81 CNR2 (0.69) APPKDM4EACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080038386-A1 Use of a liquid cooling sensate to provide a pungent, warming or tingling sensate composition MOZA ASHOK K 2008-02-14 US disclosed