SCHEMBL13170308

SCHEMBL13170308

O=C(CC1Oc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)cc2NC1=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.48
ITGAV P06756 17/20 0.48
ITGA2B P08514 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ITGB5 P18084 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13170304 0.92 ITGB1 (0.41) ITGB3ITGAVALDH1A1MAPK1HSD17B10
SCHEMBL7372792 0.90 NPC1 (0.41) ITGB3ITGAVALDH1A1MAPK1HSD17B10
SCHEMBL13170306 0.90 ITGB3 (0.39) ITGB3ITGAVALDH1A1MAPK1HSD17B10
SCHEMBL3050522 0.89 PTPN1 (0.51) ITGB3ITGAVIDO1
SCHEMBL7478067 0.89 PTPN1 (0.44) ITGB3ITGAVALDH1A1MAPK1HSD17B10
SCHEMBL7441206 0.88 ALDH1A1 (0.42) ALDH1A1MAPK1HSD17B10
SCHEMBL7165492 0.88 PTPN1 (0.44) ITGB3ITGAVHSD17B10
SCHEMBL7371688 0.86 ITGB3 (0.40) ITGB3ITGAVALDH1A1MAPK1HSD17B10
SCHEMBL7474158 0.86 ITGB3 (0.48) ITGB3ITGAVALDH1A1MAPK1HSD17B10
SCHEMBL7163873 0.85 ITGB3 (0.47) ITGB3ITGAVALDH1A1MAPK1HSD17B10

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
US-7803399-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-28 US disclosed
US-7803399-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-28 US disclosed