SCHEMBL11279189

SCHEMBL11279189

CC(C)CC(=O)OCc1cc(C(=O)C(N)C(C)(C)C)ccc1OC(=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 6/20 0.36
ELANE P08246 4/20 0.36
HPGD P15428 3/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
SLC15A1 P46059 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 0.84 ALOX15 (0.53) ALOX15ALDH1A1MAPT
SCHEMBL11285994 0.83 ALOX15 (0.46) ALOX15RECQL
SCHEMBL11283681 0.81 ALDH1A1 (0.48) ALOX15ALDH1A1HPGDTP53POLB
SCHEMBL11284006 0.81 ELANE (0.46) ALDH1A1ELANEKMT2AMEN1MAPT
SCHEMBL11288055 0.80 ALOX15 (0.49) ALOX15ALDH1A1ELANE
Hydrochloric Acid SCHEMBL11277598 0.79 ALOX15 (0.48) ALOX15ALDH1A1ELANE
SCHEMBL11279194 0.78 ALDH1A1 (0.40) ALOX15ALDH1A1ELANEHPGDTP53
SCHEMBL11112951 0.78 ALOX15 (0.43) ALOX15ALDH1A1HPGDTP53POLB
SCHEMBL11284400 0.77 ALOX15 (0.49) ALOX15ALDH1A1HPGDSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11283476 0.76 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2THRBHTT

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