SCHEMBL7298127

SCHEMBL7298127

CC(C)(C)OC(=O)NCC1CCN(C(=O)C[C@@H](Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ KMT2A Q03164 4/20 0.49
▸ ATM Q13315 2/20 0.49
▸ CKS1B P61024 1/20 0.48
▸ SKP1 P63208 1/20 0.48
▸ SKP2 Q13309 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPC1L1 Q9UHC9 2/20 0.45
▸ ACE P12821 1/20 0.45
▸ YAP1 P46937 1/20 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
SCHEMBL7298121 1.00 KDM4E (0.52) KDM4EPKMKMT2AATMCKS1B
SCHEMBL7306403 0.91 KDM4E (0.48) KDM4EPKMKMT2AATMCKS1B
SCHEMBL7303915 0.86 CTSS (0.47) KDM4EPKMCKS1BSKP1SKP2
SCHEMBL7303917 0.86 CTSS (0.47) KDM4EPKMCKS1BSKP1SKP2
SCHEMBL7275022 0.86 KMT2A (0.50) KMT2ACKS1BSKP1SKP2DRD2
SCHEMBL7275016 0.86 KMT2A (0.50) KMT2ACKS1BSKP1SKP2DRD2
SCHEMBL7304465 0.82 KDM4E (0.57) KDM4EPKMKMT2AATMCKS1B
SCHEMBL7304469 0.82 KDM4E (0.57) KDM4EPKMKMT2AATMCKS1B
SCHEMBL7305620 0.80 CTSS (0.43) KDM4EPKMCKS1BSKP1SKP2
SCHEMBL9326499 0.80 CTSS (0.43) KDM4EPKMCKS1BSKP1SKP2

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-0417698-B1 Amino acid derivatives having renin-inhibiting activity, process for their preparation, agents containing them, and their use HOECHST AG (DE) 1996-03-13 — — EP disclosed
US-5374731-A Treatment of high blood pressure, congestive heart failure and viral disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 — — US disclosed
EP-0417698-A2 Amino acid derivatives having renin-inhibiting activity, process for their preparation, agents containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 — — EP disclosed
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