SCHEMBL8433800

SCHEMBL8433800

CC(C)[C@H](N)C(O)c1noc(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.45
NOTUM Q6P988 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
ALDH1A1 P00352 2/20 0.39
S1PR1 P21453 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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 SCHEMBL8437871 0.99 NR1H4 (0.44) NR1H4NOTUMNPC1RAB9ANFKB1
SCHEMBL8293809 0.81 NOTUM (0.45) NR1H4NOTUMNPC1RAB9ANFKB1
SCHEMBL2164730 0.81 NOTUM (0.45) NR1H4NOTUMNPC1RAB9ANFKB1
SCHEMBL2164727 0.81 NOTUM (0.45) NR1H4NOTUMNPC1RAB9ANFKB1
Hydrochloric Acid SCHEMBL29485544 0.80 NR1H4 (0.52) NR1H4NOTUMNPC1RAB9ANFKB1
SCHEMBL8438637 0.79 MAPT (0.36) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL6979487 0.77 NR1H4 (0.57) NR1H4NOTUMNPC1RAB9ANFKB1
SCHEMBL1609093 0.77 NR1H4 (0.49) NR1H4NOTUMNPC1RAB9ANFKB1
SCHEMBL8433420 0.76 IDH1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1S1PR1
SCHEMBL8437447 0.75 RAB9A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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