SCHEMBL11275140

SCHEMBL11275140

COC(=O)CCC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
ALOX15 P16050 1/20 0.61
CTSL P07711 2/20 0.59
CTSB P07858 2/20 0.59
CTSS P25774 2/20 0.59
CTSK P43235 2/20 0.59
ACE P12821 3/20 0.58
TACR1 P25103 2/20 0.57
CTRB1 P17538 2/20 0.53
CASP1 P29466 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.52

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
SCHEMBL28355708 0.90 ALDH1A1 (0.64) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL11119660 0.88 ACE (0.61) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL11119655 0.88 ACE (0.61) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL11119658 0.88 ACE (0.61) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL13998432 0.84 CTSL (0.64) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL7151822 0.84 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL329686 0.84 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL7324257 0.83 ACE (0.70) CTSLCTSBCTSSCTSKACE
SCHEMBL28356104 0.82 TACR1 (0.64) ALDH1A1ALOX15CTSLCTSBCTSS
Hydrochloric Acid SCHEMBL7928050 0.82 ALDH1A1 (0.72) ALDH1A1ALOX15CTSLCTSBCTSS

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-4329473-A HYPOTENSIVE AGENTS SRI INTERNATIONAL 1982-05-11 US disclosed