SCHEMBL3454850

SCHEMBL3454850

Cc1nc(-c2cc3cc(OCc4ccccc4)ccc3[nH]c2=O)sc1C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.56
KDM4E B2RXH2 2/20 0.50
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
SRD5A2 P31213 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FLT3 P36888 1/20 0.45

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
SCHEMBL3456450 0.88 SCD (0.55) SCDPPARDPPARAHPGD
SCHEMBL3455616 0.84 SCD (0.57) SCDPPARDPPARAHPGDMEN1
SCHEMBL3454804 0.78 SCD (0.56) SCDPPARDPPARAHPGD
SCHEMBL3454783 0.74 SCD (0.56) SCDPPARDPPARAHPGD
SCHEMBL3455858 0.74 SCD (0.54) SCDHPGD
SCHEMBL3455677 0.74 SCD (0.60) SCDPPARDPPARAHPGD
SCHEMBL3370938 0.73 SCD (0.69) SCD
SCHEMBL3454282 0.73 SCD (0.54) SCD
SCHEMBL3373618 0.72 SCD (0.76) SCD
SCHEMBL3454540 0.72 SCD (0.57) SCDPPARDPPARA

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
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed