SCHEMBL7809206

SCHEMBL7809206

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC=O)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.54
CTSL P07711 5/20 0.54
CTSB P07858 5/20 0.54
CTSS P25774 4/20 0.54
CASP3 P42574 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
CASP6 P55212 1/20 0.49
CASP8 Q14790 1/20 0.49
CCR1 P32246 1/20 0.48
CAPN1 P07384 2/20 0.46
ELANE P08246 2/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 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
SCHEMBL7810119 0.99 CTSK (0.53) CTSKCTSLCTSBCTSSCASP3
SCHEMBL7330509 0.88 CTSK (0.55) CTSKCTSLCTSBCTSSCASP3
SCHEMBL7325161 0.88 CTSK (0.54) CTSKCTSLCTSBCTSSCASP3
SCHEMBL7808006 0.88 CTSK (0.54) CTSKCTSLCTSBCTSSCASP3
SCHEMBL7813102 0.87 CTSK (0.53) CTSKCTSLCTSBCTSSCASP3
SCHEMBL7331321 0.85 ELANE (0.56) CTSKCTSLCTSBCTSSCASP3
SCHEMBL7332393 0.84 ELANE (0.56) CTSKCTSLCTSBCTSSCASP3
SCHEMBL7431398 0.83 ELANE (0.51) CTSKCTSLCTSBCTSSCASP3
SCHEMBL8184136 0.82 CTSK (0.59) CTSKCTSLCTSBCTSS
SCHEMBL10790451 0.78 CTSK (0.54) CTSKCTSLCTSBCTSSCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721449-B1 INHIBITORS OF BETA-AMYLOID PROTEIN PRODUCTION MERRELL PHARMA INC (US) 2001-12-19 EP disclosed
US-5977074-A THERAPY FOR ALZHEIMER'S DISEASE MERRELL PHARMACEUTICALS, INC. (US) 1999-11-02 US disclosed
EP-0721449-A1 INHIBITORS OF $g(b)-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1996-07-17 EP disclosed
WO-1995009838-A1 INHIBITORS OF β-AMYLOID PROTEIN PRODUCTION MERRELL PHARMACEUTICALS INC. (US) 1995-04-13 WO disclosed