SCHEMBL9725810

SCHEMBL9725810

CC(C)CO[C@](N)(C(C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C1CCCCC1)[C@H](O)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
CTSK P43235 4/20 0.39
CTSL P07711 4/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
PTPRB P23467 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9725804 0.81 CTSL (0.42) CTSKCTSLCTSBCTSSPTPRB
SCHEMBL7268135 0.72 REN (0.49)
SCHEMBL7269394 0.72 REN (0.49)
SCHEMBL9725802 0.72 REN (0.49)
SCHEMBL9725773 0.70 REN (0.46) CTSKCTSLCTSBCTSS
SCHEMBL9725771 0.70 REN (0.47) CTSKCTSLCTSBCTSS
SCHEMBL9725765 0.69 CTSL (0.47) CTSKCTSLCTSBCTSSPTPRB
SCHEMBL9725827 0.69 REN (0.45) CTSKCTSLCTSBCTSS
SCHEMBL3338146 0.69 ATM (0.58) CTSKCTSLCTSSCYP3A4TSHR
SCHEMBL27674564 0.69 ATM (0.58) CTSKCTSLCTSSCYP3A4TSHR

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-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed