SCHEMBL8699994

SCHEMBL8699994

NCCCC[C@H](N)C(=O)NCCCC[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.51
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
ANPEP P15144 1/20 0.49
LTA4H P09960 1/20 0.49
FOLH1 Q04609 3/20 0.48
EPOR P19235 1/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
DPP4 P27487 1/20 0.46
DPP9 Q86TI2 1/20 0.46
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45

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
SCHEMBL1491987 0.87 EPOR (0.51) CPB1CPB2LTA4HFOLH1EPOR
SCHEMBL22804052 0.87 EPOR (0.51) CPB1CPB2LTA4HFOLH1EPOR
SCHEMBL3776750 0.87 EPOR (0.51) CPB1CPB2LTA4HFOLH1EPOR
SCHEMBL29517152 0.84 FOLH1 (0.42) MMP2CPB1CPB2ANPEPLTA4H
SCHEMBL9574165 0.83 EPOR (0.46) FOLH1EPORTPSAB1TPSD1TPSG1
SCHEMBL4852056 0.83 EPOR (0.46) FOLH1EPORTPSAB1TPSD1TPSG1
SCHEMBL10477497 0.83 EPOR (0.46) FOLH1EPORTPSAB1TPSD1TPSG1
SCHEMBL3222447 0.82 EPOR (0.52) CPB1CPB2LTA4HFOLH1EPOR
SCHEMBL16217828 0.81 SIRT2 (0.55) MMP2CPB1CPB2ANPEPLTA4H
SCHEMBL19871881 0.81 SIRT2 (0.55) MMP2CPB1CPB2ANPEPLTA4H

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-5834433-A ANTITUMOR AND -CARCINOMA AGENTS; SMALL CELL LUNG AND PROSTATIC CARCINOMA; ANTIMIOTIC AND ANTISECRETORY AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-11-10 US disclosed
EP-0468497-A2 Peptide-antagonists of bombesin/GRP MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed