SCHEMBL9449368

SCHEMBL9449368

CNC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.51
MDM4 O15151 1/20 0.48
TP53 P04637 1/20 0.48
CASP3 P42574 2/20 0.48
CTSK P43235 2/20 0.48
EPHX2 P34913 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL14264914 0.89 PTPN1 (0.52) PTPN1MDM4TP53CASP3CTSK
SCHEMBL29700028 0.88 PTPN1 (0.56) PTPN1MDM4TP53CASP3CTSK
SCHEMBL29990051 0.88 PTPN1 (0.56) PTPN1MDM4TP53CASP3CTSK
SCHEMBL30261676 0.88 PTPN1 (0.53) PTPN1MDM4TP53
SCHEMBL29531966 0.88 PTPN1 (0.53) PTPN1MDM4TP53
SCHEMBL31589788 0.88 PTPN1 (0.56) PTPN1MDM4TP53CASP3
SCHEMBL30153671 0.88 PTPN1 (0.56) PTPN1MDM4TP53CASP3CTSK
SCHEMBL12206292 0.88 CASP3 (0.50) MDM4TP53CASP3EPHX2KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL1002861 0.88 MDM4 (0.58) PTPN1MDM4TP53CASP3KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL120560 0.88 MDM4 (0.58) PTPN1MDM4TP53CASP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531443-A4 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN 1993-04-21 EP disclosed
EP-0531443-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN NOVA PHARMACEUTICAL CORPORATION (US) 1993-03-17 EP disclosed
US-5079260-A Side effect reduction; fluorene derivatives NOVA PHARMACEUTICAL CORPORATION (US) 1992-01-07 US disclosed
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 WO disclosed