SCHEMBL6156035

SCHEMBL6156035

CCOC(=O)[C@@H](N)Cc1ccc(-c2cccc(CNCC(=O)c3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 2/20 0.48
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
PGGT1B P53609 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.41
TP53 P04637 1/20 0.41
PPARG P37231 2/20 0.41
EPHX2 P34913 1/20 0.41
FFAR1 O14842 1/20 0.40
HDAC1 Q13547 1/20 0.40
SLC7A5 Q01650 1/20 0.40
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRK1 P41145 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL2853812 0.92 TPH1 (0.49) TPH1FNTAFNTBPGGT1BHDAC1
SCHEMBL6158603 0.92 TPH1 (0.49) TPH1FNTAFNTBPGGT1BHDAC1
SCHEMBL6184580 0.89 PPARG (0.43) TPH1FNTAFNTBPGGT1BSMN1; SMN2
SCHEMBL2847859 0.87 TPH1 (0.60) TPH1FNTAFNTBPGGT1BSLC7A5
SCHEMBL2847857 0.87 TPH1 (0.60) TPH1FNTAFNTBPGGT1BSLC7A5
SCHEMBL2851699 0.87 TPH1 (0.60) TPH1FNTAFNTBPGGT1BSLC7A5
SCHEMBL3439078 0.82 TP53 (0.41) FNTAFNTBPGGT1BTP53PPARG
SCHEMBL3439079 0.82 TP53 (0.41) FNTAFNTBPGGT1BTP53PPARG
SCHEMBL6155054 0.82 CTSS (0.52) SCN9ATP53EPHX2MEN1KMT2A
SCHEMBL2853890 0.82 PPARG (0.48) PPARGPPARA

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-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 EP disclosed
WO-2004046091-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-03 WO disclosed