SCHEMBL11289625

SCHEMBL11289625

CCC(C)(C)CC(=O)Oc1cc(C(=O)C(N)C(C)C)ccc1OC(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.46
PDE4A P27815 5/20 0.36
PDE4B Q07343 5/20 0.36
PDE4C Q08493 5/20 0.36
PDE4D Q08499 5/20 0.36
PSMB5 P28074 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A4 P31645 1/20 0.31

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 SCHEMBL11276274 0.80 ALOX15 (0.53) ALOX15PDE4APDE4BPDE4CPDE4D
SCHEMBL11290473 0.80 ALOX15 (0.51) ALOX15KDM4EALDH1A1RAB9A
SCHEMBL11289627 0.79 ALOX15 (0.43) ALOX15PDE4APDE4BPDE4CPDE4D
SCHEMBL11288771 0.78 ALOX15 (0.48) ALOX15PSMB5KDM4EGAA
SCHEMBL11288055 0.76 ALOX15 (0.49) ALOX15KDM4EALDH1A1GAATSHR
Hydrochloric Acid SCHEMBL11277598 0.75 ALOX15 (0.48) ALOX15PDE4APDE4BPDE4CPDE4D
SCHEMBL11279423 0.74 ELANE (0.48) ALOX15PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11278675 0.74 ELANE (0.47) ALOX15PDE4APDE4BPDE4CPDE4D
SCHEMBL11284400 0.73 ALOX15 (0.49) ALOX15KDM4EALDH1A1RAB9A
SCHEMBL11281180 0.73 ALOX15 (0.60) ALOX15PDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed