SCHEMBL8433202

SCHEMBL8433202

CC(Cc1noc(-c2ccccc2)n1)C(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
ATM Q13315 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
PPARD Q03181 1/20 0.46
NOTUM Q6P988 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
CTSK P43235 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FFAR1 O14842 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTRB1 P17538 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL8432908 0.89 TACR1 (0.46) TACR1ATMPPARGPPARAPPARD
SCHEMBL8436584 0.88 ATM (0.47) ATMTRPM8CTSKCTSLCTSB
SCHEMBL8434719 0.86 PRSS1 (0.51) ATMTRPM8CTRB1
SCHEMBL8435708 0.85 ATM (0.45) ATMTRPM8CTSKCTSLCTSB
SCHEMBL8435658 0.85 ATM (0.47) TACR1ATMTRPM8CTSKCTRB1
SCHEMBL8435719 0.84 HDAC6 (0.44) ATMTRPM8CTSKHDAC6CTSL
SCHEMBL8433716 0.83 ATM (0.43) ATMTRPM8CTRB1
SCHEMBL8438342 0.83 ATM (0.43) ATMTRPM8CTRB1
SCHEMBL8437487 0.81 PRSS1 (0.56) ATMCTSKCTSLCTSS
SCHEMBL8437901 0.81 PRSS1 (0.44) ATMTRPM8

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-5874585-A TREATMENT AND/OR PREVENTION OF ELASTASE-MEDIATED PROBLEMS SUCH AS ARTHRITIS, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, DERMATITIS, PSORIASIS, CYSTIC FIBROSIS, CHRONIC BRONCHITIS, ALZHEIMER'S DISEASE CORTECH, INC. (US) 1999-02-23 US disclosed