SCHEMBL7367771

SCHEMBL7367771

CC1CCC(NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.60
YAP1 P46937 5/20 0.54
PTPN1 P18031 4/20 0.54
HDAC8 Q9BY41 1/20 0.53
SCN9A Q15858 2/20 0.52
REN P00797 1/20 0.52
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
PSMB10 P40306 2/20 0.50
MCL1 Q07820 1/20 0.50
PSMB1 P20618 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 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
SCHEMBL7361331 0.92 BCL2 (0.61) BCL2YAP1PTPN1HDAC8SCN9A
SCHEMBL7274495 0.91 CTSS (0.60) SCN9ACTSSCTSLCTSBCTSK
SCHEMBL10421038 0.87 KMT2A (0.58) BCL2YAP1PSMB10PSMB1PSMB8
SCHEMBL7283532 0.83 MMP9 (0.69) BCL2PTPN1HDAC8RENCTSS
SCHEMBL7283537 0.83 MMP9 (0.69) BCL2PTPN1HDAC8RENCTSS
SCHEMBL7436310 0.83 CTSS (0.51) BCL2YAP1PTPN1SCN9ACTSS
SCHEMBL7436304 0.83 CTSS (0.51) BCL2YAP1PTPN1SCN9ACTSS
SCHEMBL5833558 0.82 BCL2 (0.68) BCL2PTPN1HDAC8RENCTSS
SCHEMBL5833552 0.82 BCL2 (0.68) BCL2PTPN1HDAC8RENCTSS
SCHEMBL8552202 0.82 BCL2 (0.48) BCL2YAP1SCN9ACTSSCTSL

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-4895842-A Phenylalanine derivative and proteinase inhibitor SHOSUKE OKAMOTO (JP) 1990-01-23 US disclosed
EP-0217286-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1987-04-08 EP disclosed