SCHEMBL15719829

SCHEMBL15719829

COC(=O)C1C(OC)C(O)CN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
TSHR P16473 1/20 0.32
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL2564045 0.82 CYP2C19 (0.35) MMP2ANPEPTSHRBRD4ALDH1A1
SCHEMBL15719692 0.81 CFD (0.33) MMP2ANPEPTSHRBRD4
SCHEMBL15719819 0.81 TSHR (0.37) MMP2ANPEPTSHRBRD4ALDH1A1
SCHEMBL15718956 0.76 BRD4 (0.34) MMP2ANPEPTSHRBRD4ALDH1A1
SCHEMBL18093995 0.74 NPC1 (0.44)
SCHEMBL15719780 0.72 TSHR (0.36) MMP2ANPEPTSHRBRD4CYP2C19
SCHEMBL21360153 0.72
SCHEMBL18614432 0.71 AR (0.36) ALDH1A1
SCHEMBL15721076 0.71 BRD4 (0.33) MMP2ANPEPTSHRBRD4
SCHEMBL20488623 0.70 ACE (0.35) ALDH1A1

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-2925741-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
WO-2014078609-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed