SCHEMBL5841274

SCHEMBL5841274

C=C(C)C(=O)OOc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
SLC7A5 Q01650 3/20 0.51
PTPN1 P18031 2/20 0.51
PTGS1 P23219 3/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.50
TPH1 P17752 3/20 0.44
GRB2 P62993 1/20 0.44
ALOX15 P16050 3/20 0.44
HIF1A Q16665 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL1426484 1.00 ITGB3 (0.53) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL3266739 0.89 ITGB3 (0.41) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL345967 0.85 SLC7A5 (0.54) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL18812870 0.85 SLC7A5 (0.54) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL1018596 0.84 SLC7A5 (0.49) ITGB3ITGA2BSLC7A5PTPN1KDM4E
SCHEMBL6522472 0.84 SLC7A5 (0.49) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL21314247 0.81 SLC7A5 (0.53) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL20335056 0.80 ITGB3 (0.60) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL1015911 0.80 ITGB3 (0.48) ITGB3ITGA2BKDM4EKMT2ALMNA
SCHEMBL5843022 0.80 ITGB3 (0.43) ITGB3ITGA2BKDM4ELDHAKMT2A

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-7115674-B2 Dental self-curing resin cement compositions DENTKIST, INC. (KR) 2006-10-03 US claimed
US-20050049326-A1 Dental self-curing resin cement compositions DENTKIST, INC. (KR) 2005-03-03 US claimed
US-7115674-B2 Dental self-curing resin cement compositions DENTKIST, INC. (KR) 2006-10-03 US disclosed
US-20050049326-A1 Dental self-curing resin cement compositions DENTKIST, INC. (KR) 2005-03-03 US disclosed