SCHEMBL8848739

SCHEMBL8848739

CCOC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
OPRK1 P41145 1/20 0.51
CTSC P53634 2/20 0.50
MMP2 P08253 1/20 0.50
MME P08473 1/20 0.46

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
SCHEMBL29480449 0.91 OPRK1 (0.57) MMP8OPRK1CTSC
SCHEMBL30051199 0.90 OPRK1 (0.61) OPRK1CTSCMMP2
Hydrochloric Acid SCHEMBL9513055 0.90 OPRK1 (0.56) MMP8OPRK1CTSC
SCHEMBL29543584 0.89 MME (0.46) OPRK1MME
SCHEMBL30295503 0.88 OPRK1 (0.55) MMP8OPRK1CTSC
SCHEMBL9011222 0.86 LTA4H (0.57) MMP8OPRK1MME
SCHEMBL9011218 0.86 LTA4H (0.57) MMP8OPRK1MME
SCHEMBL13897001 0.85 CTSC (0.56) OPRK1CTSCMMP2MME
Hydrochloric Acid SCHEMBL10663126 0.85 LTA4H (0.56) MMP8OPRK1MME
SCHEMBL10902486 0.85 OPRD1 (0.57) OPRK1

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-5646316-A ANTIMETASTASIS AND ANTITUMOR AGENTS OSTEOARTHRITIS SCIENCES, INC. (US) 1997-07-08 US disclosed