SCHEMBL6573400

SCHEMBL6573400

CCCCCN(C(=O)[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)NC(=O)CCC(=O)O)[C@@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
CNR1 P21554 1/20 0.39
CCKBR P32239 1/20 0.39
PTPN1 P18031 4/20 0.38
FAAH O00519 2/20 0.37
TACR3 P29371 1/20 0.37
PPARG P37231 1/20 0.35

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
SCHEMBL6918305 0.83 PTPN1 (0.43) PTPN1FAAHTACR3
SCHEMBL6574928 0.79 PTPN1 (0.59) PTPN1
SCHEMBL6573397 0.79 PTPN1 (0.59) PTPN1
SCHEMBL6804095 0.79 MME (0.43) PTPN1FAAHTACR3
SCHEMBL6918302 0.75 TACR3 (0.48) TACR3
SCHEMBL6575310 0.74 PTPN1 (0.49) ITGB3ITGA2BCCKBRPTPN1
SCHEMBL6575538 0.73 SRD5A2 (0.45) ITGB3ITGA2BPTPN1
SCHEMBL6572344 0.73 PTPN1 (0.62) PTPN1
SCHEMBL6571434 0.73 PTPN1 (0.62) PTPN1
SCHEMBL6571438 0.73 PTPN1 (0.62) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US claimed
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed