SCHEMBL10445293

SCHEMBL10445293

CC(C)C(C(=O)NCc1ccccc1)C(=O)C(N)C(F)(F)C(O)C(CC1CCCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.46
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
PSMB1 P20618 1/20 0.42
CTSD P07339 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.40

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
SCHEMBL10432558 0.86 PSMB1 (0.53) RENCTSSCTSKCTSLCTSB
SCHEMBL10432205 0.86 METAP2 (0.48) RENCTSDBACE1
SCHEMBL7329100 0.84 CTSK (0.51) RENCTSSCTSKCTSLCTSB
SCHEMBL7434284 0.84 CTSK (0.51) RENCTSSCTSKCTSLCTSB
SCHEMBL7429221 0.83 CTSK (0.52) RENCTSSCTSKCTSLCTSB
SCHEMBL7278761 0.78 REN (0.50) RENCTSSCTSKCTSLCTSB
SCHEMBL7276185 0.78 CTSL (0.52) RENCTSSCTSKCTSLCTSB
SCHEMBL7304744 0.77 CTSB (0.49) RENCTSSCTSKCTSLCTSB
SCHEMBL7294910 0.77 CTSK (0.53) RENCTSSCTSKCTSLCTSB
SCHEMBL10432311 0.77 PSMB1 (0.54) RENCTSSCTSKCTSLCTSB

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
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed