SCHEMBL11022599

SCHEMBL11022599

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.58
PTPN1 P18031 3/20 0.57
HDAC8 Q9BY41 1/20 0.52
YAP1 P46937 2/20 0.51
ITGB3 P05106 3/20 0.51
ITGA2B P08514 3/20 0.51
REN P00797 1/20 0.51
CTSS P25774 2/20 0.50
GPR34 Q9UPC5 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
EPHX2 P34913 1/20 0.49
PPARG P37231 2/20 0.49
PPARA Q07869 1/20 0.49
PSMB10 P40306 1/20 0.49
MCL1 Q07820 1/20 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
SCHEMBL7291961 0.91 CTSS (0.59) RENCTSSCTSLCTSBCTSK
SCHEMBL8575674 0.91 CTSS (0.59) RENCTSSCTSLCTSBCTSK
SCHEMBL10784370 0.90 ITGB3 (0.56) HDAC8ITGB3ITGA2BCTSSGPR34
SCHEMBL7523637 0.87 BCL2 (0.64) BCL2PTPN1HDAC8YAP1ITGB3
SCHEMBL9752771 0.87 BCL2 (0.64) BCL2PTPN1HDAC8YAP1ITGB3
SCHEMBL6161729 0.87 BCL2 (0.64) BCL2PTPN1HDAC8YAP1ITGB3
SCHEMBL9752770 0.87 BCL2 (0.64) BCL2PTPN1HDAC8YAP1ITGB3
SCHEMBL3500186 0.87 BCL2 (0.64) BCL2PTPN1HDAC8YAP1ITGB3
SCHEMBL3350988 0.87 BCL2 (0.64) BCL2PTPN1HDAC8YAP1ITGB3
SCHEMBL18025361 0.86 BCL2 (0.63) BCL2PTPN1HDAC8YAP1ITGB3

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-0034259-B1 PEPTIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS OR DIAGNOSTIC AGENTS CONTAINING THEM RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-06-12 EP disclosed
EP-0034260-B1 PEPTIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS OR DIAGNOSTIC AGENTS CONTAINING THEM RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1983-07-20 EP disclosed
EP-0034260-A1 Peptides, process for their preparation and medicaments or diagnostic agents containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1981-08-26 EP disclosed