SCHEMBL9558243

SCHEMBL9558243

CC(C)(C)OC(=O)N1CCC(CCOC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.64
MAPK1 P28482 2/20 0.63
KMT2A Q03164 4/20 0.54
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
ATM Q13315 1/20 0.50
ACE P12821 1/20 0.50
P2RX7 Q99572 5/20 0.49

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
SCHEMBL9558248 0.87 MAPK1 (0.58) YAP1MAPK1ACEP2RX7
SCHEMBL7272131 0.86 YAP1 (0.71) YAP1P2RX7
SCHEMBL7986551 0.85 ITGB3 (0.71) YAP1P2RX7
SCHEMBL7292244 0.85 ITGB3 (0.71) YAP1P2RX7
SCHEMBL12652625 0.85 YAP1 (0.60) YAP1MAPK1KDM4EPKMMAPT
SCHEMBL3008274 0.85 YAP1 (0.60) YAP1MAPK1KDM4EPKMMAPT
SCHEMBL3008280 0.85 YAP1 (0.60) YAP1MAPK1KDM4EPKMMAPT
SCHEMBL6165580 0.83 MAPK1 (0.75) YAP1MAPK1KMT2APOLBMEN1
SCHEMBL6165579 0.83 MAPK1 (0.75) YAP1MAPK1KMT2APOLBMEN1
SCHEMBL18788023 0.83 YAP1 (0.60) YAP1MAPK1KDM4EPKMMAPT

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-5215968-A Hypotension agents and viricides HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0373497-A2 Dipeptide derivatives with an enzyme-inhibiting activity HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed