SCHEMBL10337144

SCHEMBL10337144

COc1ccc(C[C@H](NC(=O)CCCCCNC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.47
▸ PSMB1 P20618 7/20 0.46
▸ PSMB5 P28074 7/20 0.46
▸ PSMB2 P49721 7/20 0.46
▸ BMP1 P13497 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ ITGB3 P05106 6/20 0.45
▸ ITGA2B P08514 6/20 0.45
▸ PTPN1 P18031 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
SCHEMBL9417371 0.94 PTPN1 (0.49) PSMB1PSMB5PSMB2BMP1HDAC8
SCHEMBL8910628 0.87 KMT2A (0.56) ITGB3ITGA2B
SCHEMBL19051462 0.82 BMP1 (0.54) BMP1
SCHEMBL9417356 0.82 HDAC1 (0.56) HDAC8
SCHEMBL11012331 0.82 REN (0.51) PSMB1PSMB5PSMB2BMP1PTPN1
SCHEMBL28011820 0.82 BMP1 (0.48) PTGER4BMP1ITGB3ITGA2B
SCHEMBL2177818 0.82 BMP1 (0.48) PTGER4BMP1ITGB3ITGA2B
SCHEMBL9800635 0.80 KMT2A (0.63) HDAC8ITGB3ITGA2BPTPN1
SCHEMBL10443977 0.80 CTSL (0.57) ITGB3ITGA2B
SCHEMBL7432056 0.80 FOLH1 (0.61) PTGER4BMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295294-A4 PEPTIDYLAMINODIOLS. ABBOTT LAB (US) 1990-04-10 — — EP disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 — — EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 — — WO disclosed
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