SCHEMBL9449334

SCHEMBL9449334

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

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
MDM4 O15151 2/20 0.48
TP53 P04637 2/20 0.48
CASP3 P42574 2/20 0.48
KMT2A Q03164 1/20 0.48
MDM2 Q00987 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL29827512 0.92 PTPN1 (0.49) PTPN1MDM4TP53CASP3
SCHEMBL19199287 0.90 CASP3 (0.55) PTPN1CASP3KMT2A
SCHEMBL21998831 0.90 CASP3 (0.55) PTPN1CASP3KMT2A
SCHEMBL9449475 0.90 PTPN1 (0.50) PTPN1MDM4TP53CASP3KMT2A
SCHEMBL17525280 0.90 PTPN1 (0.50) PTPN1MDM4TP53CASP3KMT2A
SCHEMBL12687225 0.88 PTPN1 (0.52) PTPN1MDM4TP53CASP3KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL29385681 0.88 MDM4 (0.58) PTPN1MDM4TP53CASP3KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL1002861 0.88 MDM4 (0.58) PTPN1MDM4TP53CASP3KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL120560 0.88 MDM4 (0.58) PTPN1MDM4TP53CASP3KMT2A
N- (9-Fluorenylmethoxycarbonyl)-L-Leucine SCHEMBL800078 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 WO disclosed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 WO disclosed
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
WO-1991018596-A1 METHODS FOR TREATING INFLAMMATION AND COMPOUNDS AND COMPOSITIONS SUITABLE FOR USE THEREIN WEITZBERG MOSHE (US) 1991-12-12 WO disclosed