SCHEMBL27576397

SCHEMBL27576397

C[C@H](NC(=O)N(CCCO)CCC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CASR P41180 1/20 0.35
TSHR P16473 1/20 0.33
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
USP1 O94782 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL27576386 0.93 METAP2 (0.38) METAP2CTSSCTSKCASRTSHR
SCHEMBL27538282 0.93 METAP2 (0.38) METAP2CTSSCTSKCASRTSHR
SCHEMBL27538336 0.93 METAP2 (0.38) METAP2CTSSCTSKCASRTSHR
SCHEMBL27562663 0.92 METAP2 (0.37) METAP2CTSSCTSKCASRTSHR
SCHEMBL27562664 0.92 METAP2 (0.37) METAP2CTSSCTSKCASRTSHR
SCHEMBL27541778 0.91 METAP2 (0.35) METAP2CTSSCTSKCASRTSHR
SCHEMBL27560038 0.87 KMT2A (0.37) METAP2CTSSCTSKALDH1A1RECQL
SCHEMBL27538585 0.86 METAP2 (0.34) METAP2CTSSCTSKCASRTSHR
SCHEMBL6897605 0.84 LTA4H (0.41) METAP2CASRPPARAPPARGGMNN
SCHEMBL27570950 0.84 METAP2 (0.35) METAP2CTSSCTSKCASRTSHR

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-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed