SCHEMBL11289635

SCHEMBL11289635

Cc1ccc(C(=O)OCc2cc(C(O)CNC(C)(C)C)ccc2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.59
ADRB1 P08588 6/20 0.59
HIF1A Q16665 3/20 0.59
TSHR P16473 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
NFKB1 P19838 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
PMP22 Q01453 1/20 0.57
ADRB3 P13945 3/20 0.49
CASP7 P55210 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12158793 0.85 ADRB2 (0.66) ADRB2ADRB1HIF1ATSHRCYP1A2
SCHEMBL6838978 0.85 ADRB2 (0.66) ADRB2ADRB1HIF1ATSHRCYP1A2
SCHEMBL11281997 0.84 HIF1A (0.51) ADRB2ADRB1HIF1ATSHRCYP1A2
SCHEMBL11290216 0.83 PMP22 (0.48) ADRB2ADRB1HIF1ATSHRCYP1A2
SCHEMBL11289637 0.83 ADRB2 (0.63) ADRB2ADRB1HIF1ATSHRCYP1A2
SCHEMBL14141543 0.82 ADRB2 (0.62) ADRB2ADRB1HIF1ATSHRCYP1A2
SCHEMBL6700369 0.80 ADRB2 (0.72) ADRB2ADRB1HIF1ATSHRCYP1A2
SCHEMBL4632760 0.79 ADRB2 (0.52) ADRB2ADRB1HIF1ATSHRCYP1A2
SCHEMBL11283530 0.78 ADRB2 (0.52) ADRB2ADRB1HIF1ATSHRCYP1A2
SCHEMBL7973412 0.78 ADRB2 (0.57) ADRB2ADRB1HIF1ATSHRCYP1A2

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