SCHEMBL7492287

SCHEMBL7492287

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

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
ALOX15 P16050 1/20 0.65
CTSL P07711 2/20 0.63
CTSB P07858 2/20 0.63
CTSS P25774 2/20 0.63
CTSK P43235 2/20 0.63
TACR1 P25103 2/20 0.61
CAPN1 P07384 2/20 0.60
CTRB1 P17538 2/20 0.57
TRPM8 Q7Z2W7 1/20 0.55

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
SCHEMBL7492293 1.00 ALDH1A1 (0.65) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL7499936 1.00 ALDH1A1 (0.65) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL29550348 0.92 TACR1 (0.64) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8696650 0.89 CTSL (0.60) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL27470669 0.88 ALDH1A1 (0.50) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8701970 0.87 ALDH1A1 (0.67) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL7151822 0.87 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL329686 0.87 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8699187 0.87 TACR1 (0.65) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL30065522 0.86 CTSK (0.69) CTSLCTSBCTSSCTSKCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1128135-C Process for reducing alpha-aminoketones KANEKA CORP (JP) 2003-11-19 CN disclosed
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP disclosed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US disclosed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP disclosed
CN-1228081-A Process for reducing alpha-aminoketones KANEKA CORP (JP) 1999-09-08 CN disclosed