SCHEMBL8438749

SCHEMBL8438749

COc1ccccc1Cc1nc(C(O)[C@@H](N)C(C)C)no1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 3/20 0.48
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTK2 Q05397 1/20 0.35
LTA4H P09960 1/20 0.35
POLB P06746 1/20 0.35

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
Hydrochloric Acid SCHEMBL8437492 0.99 TSHR (0.50) TSHRMAPK1LMNAL3MBTL1TDP1
Hydrochloric Acid SCHEMBL8434597 0.79 IDH1 (0.41) TSHRMAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL8438545 0.79 SMN1; SMN2 (0.49) TSHRMAPK1LMNAL3MBTL1TDP1
SCHEMBL8432982 0.77 TAAR1 (0.45) TSHRLMNAL3MBTL1TDP1MEN1
Hydrochloric Acid SCHEMBL8435752 0.76 TAAR1 (0.44) TSHRLMNAL3MBTL1TDP1MEN1
SCHEMBL8434784 0.76 PRSS1 (0.46) TSHRMAPK1LMNAL3MBTL1TDP1
SCHEMBL8438754 0.73 TSHR (0.49) TSHRMAPK1LMNAL3MBTL1TDP1
Hydrochloric Acid SCHEMBL8495697 0.72 RAB9A (0.44) TSHRMAPK1LMNAL3MBTL1TDP1
Hydrochloric Acid SCHEMBL8437496 0.72 TSHR (0.48) TSHRMAPK1LMNAL3MBTL1TDP1
SCHEMBL29976982 0.72 TSHR (0.56) TSHRMAPK1LMNAL3MBTL1TDP1

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