SCHEMBL8552202

SCHEMBL8552202

CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cn1)C(=O)NC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.48
HDAC1 Q13547 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SCN9A Q15858 3/20 0.46
PSMB1 P20618 2/20 0.46
PSMB8 P28062 2/20 0.46
PSMB9 P28065 2/20 0.46
PSMB5 P28074 2/20 0.46
PSMB10 P40306 1/20 0.46
PSMB2 P49721 1/20 0.46
YAP1 P46937 2/20 0.45
CCKAR P32238 1/20 0.44
CCKBR P32239 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CTSS P25774 2/20 0.44
KLK7 P49862 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL27493136 0.99 BCL2 (0.47) BCL2HDAC1HDAC4HDAC6KDM4E
SCHEMBL7361331 0.88 BCL2 (0.61) BCL2KDM4ESCN9APSMB1PSMB8
SCHEMBL7436304 0.85 CTSS (0.51) BCL2HDAC1HDAC4HDAC6KDM4E
SCHEMBL7436310 0.85 CTSS (0.51) BCL2HDAC1HDAC4HDAC6KDM4E
SCHEMBL1350878 0.84 PTPN1 (0.57) BCL2YAP1CTSSCTSLCTSB
SCHEMBL1350409 0.84 PTPN1 (0.57) BCL2YAP1CTSSCTSLCTSB
SCHEMBL19190003 0.84 BCL2 (0.52) BCL2PSMB1PSMB8PSMB9PSMB5
SCHEMBL8474091 0.82 BCL2 (0.50) BCL2PSMB1PSMB8PSMB9PSMB5
SCHEMBL8523666 0.82 CTSS (0.52) BCL2PSMB1PSMB8PSMB9PSMB5
SCHEMBL7367771 0.82 BCL2 (0.60) BCL2SCN9APSMB1PSMB8PSMB9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869507-A Azatyrosine analogues Wang, Hui-Po (TW) 1999-02-09 US disclosed