SCHEMBL11285994

SCHEMBL11285994

CC(C)CC(=O)Oc1ccc(C(=O)C(N)C(C)(C)C)cc1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 1/20 0.38
DBH P09172 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
IARS1 P41252 1/20 0.36
TUBB1 Q9H4B7 1/20 0.35
MARS1 P56192 2/20 0.34
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33

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 0.88 ALOX15 (0.53) ALOX15KDM4EGAATUBB1HIF1A
SCHEMBL11288771 0.87 ALOX15 (0.48) ALOX15KDM4EDBHGAARECQL
SCHEMBL11288055 0.84 ALOX15 (0.49) ALOX15KDM4EGAAHIF1A
Hydrochloric Acid SCHEMBL11277598 0.83 ALOX15 (0.48) ALOX15KDM4EGAAHIF1A
SCHEMBL11279189 0.83 ALOX15 (0.42) ALOX15RECQL
Hydrochloric Acid SCHEMBL11284024 0.83 TSHR (0.42) KDM4EDBHGAARECQLIARS1
SCHEMBL11282093 0.83 ELANE (0.42) KDM4EDBHGAARECQLHIF1A
SCHEMBL11284400 0.81 ALOX15 (0.49) ALOX15KDM4E
SCHEMBL11291256 0.81 ALOX15 (0.47) ALOX15
SCHEMBL11283315 0.80 ALOX15 (0.36) ALOX15KDM4EDBHGAARECQL

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