SCHEMBL8437451

SCHEMBL8437451

CC(C)[C@H](N)C(O)c1noc(C=Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP3 P42574 5/20 0.42
SENP7 Q9BQF6 5/20 0.42
SENP8 Q96LD8 4/20 0.42
SENP6 Q9GZR1 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.39
ALOX5 P09917 2/20 0.37
HTR2A P28223 3/20 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
SCHEMBL8437447 1.00 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL8433464 0.99 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL8438272 0.83 TRPV1 (0.36) CYP1A2CASP3SENP7SENP8SENP6
Hydrochloric Acid SCHEMBL8438263 0.83 TRPV1 (0.36) CYP1A2CASP3SENP7SENP8SENP6
SCHEMBL8433800 0.75 NR1H4 (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
Hydrochloric Acid SCHEMBL8437871 0.74 NR1H4 (0.44) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL8438345 0.73 ATM (0.45) CYP1A2
Hydrochloric Acid SCHEMBL8434597 0.71 IDH1 (0.41) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL8437843 0.69
Hydrochloric Acid SCHEMBL8435794 0.68 L3MBTL1 (0.46) RAB9ANPC1SMN1; SMN2TDP1L3MBTL1

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