SCHEMBL8437488

SCHEMBL8437488

CC(=O)OCC(NC(=O)OCc1ccccc1)C(C)Cc1noc(C(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.40
TACR1 P25103 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
CTRB1 P17538 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8435658 0.90 ATM (0.47) ATMTRPM8TACR1CTRB1
SCHEMBL8433075 0.88 ATM (0.45) ATMTRPM8ALDH1A1ALOX15CTRB1
SCHEMBL8436495 0.86 HDAC6 (0.42) ATMTRPM8ALDH1A1ALOX15
SCHEMBL8432908 0.86 TACR1 (0.46) ATMTRPM8TACR1ALDH1A1ALOX15
SCHEMBL8433744 0.86 PRSS1 (0.49) ATMTRPM8
SCHEMBL8433890 0.85 ATM (0.43) ATMTRPM8ALDH1A1ALOX15CTRB1
SCHEMBL8435692 0.84 ATM (0.41) ATMTRPM8CTRB1
SCHEMBL8433808 0.83 ATM (0.41) ATMTRPM8ALDH1A1ALOX15MEN1
SCHEMBL8433320 0.83 PRSS1 (0.42) ATMTRPM8
SCHEMBL8436757 0.81 PRSS1 (0.54) ATM

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