SCHEMBL20111504

SCHEMBL20111504

CC(=O)N[C@H](C(=O)N1CC(O)C[C@H]1C(N)=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VHL P40337 14/20 0.44
▸ ELOC Q15369 13/20 0.44
▸ ELOB Q15370 13/20 0.44
▸ ATM Q13315 1/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ DPP4 P27487 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP9 Q86TI2 2/20 0.40

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
SCHEMBL22790711 1.00 VHL (0.44) VHLELOCELOBATMPIN1
SCHEMBL22777163 0.88 ATM (0.58) VHLELOCELOBATMDPP4
SCHEMBL22777165 0.88 ATM (0.58) VHLELOCELOBATMDPP4
SCHEMBL24262637 0.87 DPP4 (0.39) VHLELOCELOBATMDPP4
SCHEMBL24262437 0.86 DPP4 (0.42) VHLELOCELOBATMDPP4
SCHEMBL21350354 0.86 DPP4 (0.42) VHLELOCELOBATMDPP4
SCHEMBL31605674 0.86 VHL (0.40) VHLELOCELOBATMDPP4
SCHEMBL28577731 0.85 MMP2 (0.47) VHLELOCELOBATM
SCHEMBL24103548 0.85 VHL (0.40) VHLELOCELOBDPP4DPP8
SCHEMBL24592324 0.85 ELANE (0.44) VHLELOCELOBDPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081530-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-05-03 — — WO disclosed
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