SCHEMBL8910228

SCHEMBL8910228

CC(CSc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.64
MTNR1B P49286 6/20 0.64
PPARA Q07869 4/20 0.49
PPARG P37231 3/20 0.49
PPARD Q03181 2/20 0.47
MMP13 P45452 1/20 0.46
CTSK P43235 4/20 0.46
CTSS P25774 3/20 0.46
ATM Q13315 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9404273 1.00 MTNR1A (0.64) MTNR1AMTNR1BPPARAPPARGPPARD
SCHEMBL5142486 0.84 PPARA (0.64) MTNR1AMTNR1BPPARAPPARGPPARD
SCHEMBL4671738 0.84 PPARA (0.64) MTNR1AMTNR1BPPARAPPARGPPARD
SCHEMBL4671732 0.84 PPARA (0.64) MTNR1AMTNR1BPPARAPPARGPPARD
SCHEMBL15866036 0.84 PPARA (0.48) MTNR1AMTNR1BPPARAPPARGPPARD
SCHEMBL2945955 0.83 ATM (0.50) MTNR1AMTNR1BPPARAPPARGPPARD
SCHEMBL22202986 0.83 ATM (0.47) MTNR1AMTNR1BPPARAPPARGPPARD
SCHEMBL22202893 0.82 CTSK (0.50) MTNR1AMTNR1BPPARAPPARGPPARD
SCHEMBL22409417 0.82 PLA2G10 (0.50) MTNR1AMTNR1BPPARAPPARGPPARD
SCHEMBL2951876 0.82 NFKB1 (0.53) MTNR1AMTNR1BPPARAPPARGPPARD

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-5672588-A Purine derivatives NOVO NORDISK A/S (DK) 1997-09-30 US disclosed