SCHEMBL9179033

SCHEMBL9179033

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C]=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 4/20 0.53
▸ CALCRL Q16602 1/20 0.52
▸ REN P00797 3/20 0.48
▸ BACE1 P56817 1/20 0.45
▸ HLA-DRB1 P01911 1/20 0.43
▸ GHSR Q92847 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
SCHEMBL18568248 0.89 CALCRL (0.56) CTSCCALCRLRENBACE1HLA-DRB1
SCHEMBL8953885 0.89 CALCRL (0.56) CTSCCALCRLRENBACE1HLA-DRB1
SCHEMBL9642398 0.89 CALCRL (0.56) CTSCCALCRLRENBACE1HLA-DRB1
SCHEMBL30051514 0.87 CTSC (0.57) CTSCCALCRLRENBACE1
SCHEMBL2194690 0.86 REN (0.53) CTSCCALCRLRENBACE1
SCHEMBL30186417 0.84 CTSC (0.55) CTSCCALCRLRENBACE1GHSR
SCHEMBL30053097 0.83 CTSC (0.57) CTSCCALCRLRENBACE1HLA-DRB1
SCHEMBL29433973 0.83 CALCRL (0.56) CTSCCALCRLRENBACE1
SCHEMBL30239995 0.82 CTSC (0.52) CTSCCALCRLRENBACE1HLA-DRB1
SCHEMBL30123252 0.81 CTSC (0.59) CTSCCALCRLRENBACE1

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
EP-0489860-B1 METHODS AND COMPOSITIONS FOR HEALING ULCERS PROCYTE CORP (US) 1995-08-02 — — EP claimed
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