SCHEMBL8435448

SCHEMBL8435448

CC(=O)OCC(NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
ATM Q13315 1/20 0.53
ELANE P08246 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
CTSK P43235 4/20 0.51
CTRB1 P17538 2/20 0.50
PRTN3 P24158 2/20 0.50
CTSS P25774 4/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 2/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7373911 1.00 ALDH1A1 (0.57) ALDH1A1ATMELANETRPM8CTSK
SCHEMBL18352556 0.86 HCAR2 (0.52) ATMELANETRPM8CTSKCTRB1
SCHEMBL18352579 0.86 HCAR2 (0.52) ATMELANETRPM8CTSKCTRB1
SCHEMBL15395673 0.84 ATM (0.54) ALDH1A1ATMELANETRPM8CTSK
SCHEMBL25465632 0.84 TRPM8 (0.66) ALDH1A1ATMELANETRPM8CTSK
SCHEMBL15238327 0.84 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL13489691 0.84 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL2723524 0.84 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL5724016 0.84 ATM (0.57) ATMELANETRPM8CTSKCTRB1
SCHEMBL12798890 0.84 ATM (0.57) ATMELANETRPM8CTSKCTRB1

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