SCHEMBL8433710

SCHEMBL8433710

COc1ccc(/C=C/c2nc(C(O)[C@@H](N)C(C)C)no2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
NPC1 O15118 5/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A1 P04798 2/20 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
SCHEMBL8433718 1.00 CASP3 (0.41) CASP3SENP7NPC1HPGDMEN1
Hydrochloric Acid SCHEMBL8434946 0.99 CASP3 (0.40) CASP3SENP7NPC1HPGDMEN1
Hydrochloric Acid SCHEMBL8434955 0.99 CASP3 (0.40) CASP3SENP7NPC1HPGDMEN1
SCHEMBL8437447 0.85 RAB9A (0.47) CASP3SENP7NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL8433464 0.84 RAB9A (0.46) CASP3SENP7NPC1MEN1KMT2A
SCHEMBL8433630 0.82 TRPV1 (0.36) CASP3SENP7SENP8SENP6CYP1A2
Hydrochloric Acid SCHEMBL8438263 0.81 TRPV1 (0.36) CASP3SENP7SENP8SENP6CYP1A2
Hydrochloric Acid SCHEMBL8438272 0.81 TRPV1 (0.36) CASP3SENP7SENP8SENP6CYP1A2
SCHEMBL8438545 0.75 SMN1; SMN2 (0.49) NPC1MEN1KMT2ALMNARAB9A
SCHEMBL8434653 0.74 PRSS1 (0.44) NPC1RAB9ACYP3A4ALDH1A1TAS1R3

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