SCHEMBL4041195

SCHEMBL4041195

CC(C)(C)CNC(=O)[C@H](C[C@@H](O)[CH]Cc1ccccc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
CTSD P07339 1/20 0.38
MMP8 P22894 2/20 0.36
VNN1 O95497 1/20 0.36
BCHE P06276 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
REN P00797 2/20 0.34

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
SCHEMBL4043492 0.88 VNN1 (0.39) MMP8VNN1ACEREN
SCHEMBL4044987 0.85 MMP8 (0.51) MMP8ERAP2ERAP1LNPEP
SCHEMBL4040963 0.82 REN (0.47) MMP8REN
SCHEMBL3936972 0.82 REN (0.47) MMP8REN
SCHEMBL4039170 0.81 HPGD (0.41) MMP8ACE
SCHEMBL4039656 0.80 HDAC1 (0.42)
SCHEMBL4342649 0.77 SMN1; SMN2 (0.52)
SCHEMBL4045052 0.75 LMNA (0.46) BCHE
SCHEMBL4040058 0.74 ALDH1A1 (0.45)
SCHEMBL4042449 0.74 SMN1; SMN2 (0.40) CTSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US claimed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed