SCHEMBL5711325

SCHEMBL5711325

O=C(N[C@H](C(=O)N1CSC[C@H]1C(=O)O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 3/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
ACE P12821 2/20 0.48
PREP P48147 1/20 0.47
ATM Q13315 1/20 0.47
OPRK1 P41145 2/20 0.46
CYP3A4 P08684 6/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 5/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
POLB P06746 1/20 0.43
CYP2D6 P10635 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
SCHEMBL5711352 0.86 PREP (0.57) DPP4CYP1A2CTSLCTSSACE
SCHEMBL5711449 0.85 DPP4 (0.56) DPP4ALDH1A1CTSLCTSSACE
SCHEMBL5711369 0.85 CYP3A4 (0.47) DPP4ALDH1A1CYP1A2CTSLCTSS
SCHEMBL7669206 0.84 DPP4 (0.42) DPP4ALDH1A1CYP1A2CTSLCTSS
SCHEMBL5711229 0.84 CAPN1 (0.58) DPP4CTSLCTSSACEPREP
SCHEMBL5711341 0.84 DPP4 (0.55) DPP4CTSLCTSSACEPREP
SCHEMBL5711367 0.83 ACE (0.48) DPP4ALDH1A1CYP1A2ACEPREP
SCHEMBL5711384 0.82 CTSK (0.55) DPP4CTSLCTSS
SCHEMBL18620601 0.82 ACE (0.62) ALDH1A1CYP1A2CTSLCTSSACE
SCHEMBL20484555 0.82 ACE (0.62) ALDH1A1CYP1A2CTSLCTSSACE

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-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed