SCHEMBL27912034

SCHEMBL27912034

CC(C)(CCc1ncc(-c2ccc(N(C=O)c3nc(-c4ccccc4)cs3)cc2)s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 6/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LTB4R Q15722 6/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL27930077 0.85 GSTO1 (0.40) GSTO1MEN1KMT2AL3MBTL1NPC1
SCHEMBL160421 0.77 NR1H4 (0.50) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28805064 0.72 ERCC5 (0.33) LTB4RERCC5FEN1USP30
SCHEMBL14409853 0.72 KMT2A (0.50) GSTO1MEN1KMT2AL3MBTL1NPC1
SCHEMBL27930202 0.72 OPRM1 (0.35) SMN1; SMN2ERCC5FEN1USP30
SCHEMBL27930057 0.71 HDAC6 (0.34) ERCC5FEN1USP30
SCHEMBL162321 0.70 NR1H4 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL162514 0.69 DGAT1 (0.48) SMN1; SMN2
SCHEMBL6229570 0.69 RAB9A (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL163110 0.68 ERCC5 (0.36) LTB4RERCC5FEN1

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
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 — — CN disclosed
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