SCHEMBL7320502

SCHEMBL7320502

O=C(COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F.O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.52
CTSS P25774 3/20 0.52
CTSB P07858 2/20 0.52
CTSK P43235 1/20 0.52
TACR1 P25103 2/20 0.48
TXNRD1 Q16881 1/20 0.47
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
TGM2 P21980 1/20 0.43

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
SCHEMBL7314988 0.86 CAPN1 (0.53) CTSLCTSSCTSBCTSKTACR1
SCHEMBL7319696 0.85 TACR1 (0.46) CTSLCTSSCTSBCTSKTACR1
SCHEMBL12716307 0.83 TXNRD1 (0.50) CTSLCTSSCTSBCTSKTACR1
SCHEMBL7320994 0.83 PPARA (0.53) CTSLCTSSCTSBCTSKTACR1
SCHEMBL7314067 0.83 CTSL (0.45) CTSLCTSSCTSBCTSKTACR1
SCHEMBL7314076 0.83 CTSL (0.45) CTSLCTSSCTSBCTSKTACR1
SCHEMBL7318900 0.83 CTSL (0.55) CTSLCTSSCTSBCTSKTACR1
SCHEMBL7323388 0.82 CAPN1 (0.57) CTSLCTSSCTSBCTSK
SCHEMBL7314524 0.82 CTSL (0.73) CTSLCTSSCTSBCTSKTACR1
SCHEMBL9557048 0.82 CTSL (0.73) CTSLCTSSCTSBCTSKTACR1

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-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed