SCHEMBL11290476

SCHEMBL11290476

Cc1ccc(Oc2cc(C(=O)CNC(C)C)ccc2OC(=O)CC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP13 P45452 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL11290912 0.90 CTNNB1 (0.45) ADRB2ADRB1ADRB3CTNNB1WNT3A
Hydrochloric Acid SCHEMBL11638344 0.88 CTNNB1 (0.44) ADRB2ADRB1ADRB3CTNNB1WNT3A
SCHEMBL11290478 0.88 ALOX15 (0.47) ALOX15ADRB2ADRB1ADRB3CTNNB1
SCHEMBL11284406 0.83 ALOX15 (0.39) ALOX15CTNNB1WNT3AALDH1A1KMT2A
SCHEMBL11288054 0.82 TTR (0.45) ADRB2ADRB1ADRB3CTNNB1WNT3A
SCHEMBL11288774 0.80 ALOX15 (0.44) ALOX15ADRB2ADRB1ADRB3PDE4A
SCHEMBL11290919 0.80 ADRB2 (0.48) ADRB2ADRB1ADRB3CTNNB1WNT3A
Hydrochloric Acid SCHEMBL11638350 0.79 ADRB2 (0.47) ADRB2ADRB1ADRB3CTNNB1WNT3A
Hydrochloric Acid SCHEMBL11287403 0.78 SLC22A3 (0.46) ALOX15ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL11289627 0.77 ALOX15 (0.43) ALOX15ALDH1A1KMT2ALMNAPDE4A

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