SCHEMBL11279302

SCHEMBL11279302

CC(C)(C)NCC(O)c1ccc(OC(=O)Cc2ccccc2)c(OC(=O)Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.56
ADRB1 P08588 3/20 0.56
ADRB3 P13945 2/20 0.56
LMNA P02545 2/20 0.53
HIF1A Q16665 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 3/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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 SCHEMBL11279299 0.99 ADRB2 (0.55) ADRB2ADRB1ADRB3LMNAHIF1A
SCHEMBL11288021 0.89 LMNA (0.52) ADRB2ADRB1ADRB3LMNAHIF1A
SCHEMBL11281630 0.89 LMNA (0.52) ADRB2ADRB1ADRB3LMNAHIF1A
Hydrochloric Acid SCHEMBL11281628 0.88 ADRB2 (0.53) ADRB2ADRB1ADRB3LMNAHIF1A
Hydrochloric Acid SCHEMBL11288019 0.88 ADRB2 (0.53) ADRB2ADRB1ADRB3LMNAHIF1A
SCHEMBL11277142 0.87 L3MBTL1 (0.51) ADRB2ADRB3LMNAHIF1AALDH1A1
Hydrochloric Acid SCHEMBL11281022 0.87 ADRB2 (0.52) ADRB2ADRB1ADRB3LMNAHIF1A
Hydrochloric Acid SCHEMBL11277131 0.86 ADRB2 (0.51) ADRB2ADRB3LMNAHIF1AALDH1A1
SCHEMBL11281120 0.85 LMNA (0.55) ADRB2ADRB1ADRB3LMNAHIF1A
Hydrochloric Acid SCHEMBL11281093 0.84 ADRB2 (0.56) ADRB2ADRB1ADRB3LMNAHIF1A

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 2 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