SCHEMBL7087077

SCHEMBL7087077

CN(C(=O)OCc1ccccc1)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.63
ABCB1 P08183 2/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CPA3 P15088 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 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
SCHEMBL28404302 1.00 FOLH1 (0.63) FOLH1ABCB1ITGB3ITGA2BCTSL
SCHEMBL30684570 0.89 FOLH1 (0.52) FOLH1ABCB1ITGB3ITGA2BCTSL
SCHEMBL16128221 0.88 ABCB1 (0.57) FOLH1ABCB1ITGB3ITGA2BCTSL
SCHEMBL11306029 0.87 FOLH1 (0.49) FOLH1ABCB1ITGB3ITGA2BCTSL
SCHEMBL25183100 0.86 CTSK (0.51) FOLH1ABCB1ITGB3ITGA2BCTSL
SCHEMBL24447455 0.86 CTSK (0.51) FOLH1ABCB1ITGB3ITGA2BCTSL
SCHEMBL6420482 0.86 FOLH1 (0.48) FOLH1ABCB1ITGB3ITGA2BCTSL
SCHEMBL27519798 0.86 ABCB1 (0.53) FOLH1ABCB1ITGB3ITGA2BCTSL
SCHEMBL6705137 0.86 ABCB1 (0.53) FOLH1ABCB1ITGB3ITGA2BCTSL
SCHEMBL25178768 0.85 ABCB1 (0.50) FOLH1ABCB1ITGB3ITGA2BCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108633-A Preparation method of L-glufosinate intermediate (S) -2- (((benzyloxy) carbonyl) amino) but-3-enoic acid methyl ester 浙江工业大学 2024-05-31 CN disclosed
WO-2009079624-A1 4-IMIDAZOLIDINONES AS KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2009-06-25 WO disclosed
EP-1184388-B1 SULPHOSTIN ANALOGUES AND PROCESSES FOR THE PREPARATION OF SULPHOSTIN AND ANALOGUES THEREOF ZAIDAN HOJIN BISEIBUTSU (JP) 2003-07-30 EP disclosed
US-6579989-B1 Dipeptidylpeptidase IV inhibitors; hormone and immune modu-laters; anti-HIV and antiallergenic agents ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 2003-06-17 US disclosed
EP-1184388-A1 SULPHOSTIN ANALOGUES AND PROCESSES FOR THE PREPARATION OF SULPHOSTIN AND ANALOGUES THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 2002-03-06 EP disclosed
US-5561133-A Thymidylate synthase inhibiting quinazolinones BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-10-01 US disclosed
EP-0631576-A1 DIPEPTIDYLQUINAZOLONES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 1995-01-04 EP disclosed
WO-1993019051-A1 DIPEPTIDYLQUINAZOLONES AS ANTI-CANCER AGENTS BRITISH TECHNOLOGY GROUP LTD (GB) 1993-09-30 WO disclosed