SCHEMBL7304465

SCHEMBL7304465

CC(C)(C)OC(=O)NCC1CCN(C(=O)OC(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ YAP1 P46937 3/20 0.51
▸ 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
▸ MAPK1 P28482 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ GPR119 Q8TDV5 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ STS P08842 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
SCHEMBL7304469 1.00 KDM4E (0.57) KDM4EPKMYAP1KMT2AATM
SCHEMBL7306853 0.91 KDM4E (0.53) KDM4EPKMYAP1KMT2AATM
SCHEMBL9326804 0.91 KDM4E (0.53) KDM4EPKMYAP1KMT2AATM
SCHEMBL7307138 0.86 KMT2A (0.51) YAP1KMT2ACKS1BSKP1SKP2
SCHEMBL7381400 0.86 KMT2A (0.51) YAP1KMT2ACKS1BSKP1SKP2
SCHEMBL9354381 0.84 SIGMAR1 (0.60) YAP1KMT2AATMMAPK1MEN1
SCHEMBL9354386 0.84 SIGMAR1 (0.60) YAP1KMT2AATMMAPK1MEN1
SCHEMBL5351275 0.82 KDM4E (0.62) KDM4EPKMCKS1BSKP1SKP2
SCHEMBL7298127 0.82 KDM4E (0.52) KDM4EPKMYAP1KMT2AATM
SCHEMBL7298121 0.82 KDM4E (0.52) KDM4EPKMYAP1KMT2AATM

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-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
Send feedback