SCHEMBL11281997

SCHEMBL11281997

Cc1ccc(C(=O)OCc2cc(C(O)CNC(C)(C)C)ccc2OC(=O)C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRB2 P07550 8/20 0.50
ADRB1 P08588 6/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
ADRB3 P13945 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
PMP22 Q01453 1/20 0.42
ELANE P08246 1/20 0.40

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
SCHEMBL11290216 0.89 PMP22 (0.48) HIF1ALMNAADRB2ADRB1CYP1A2
SCHEMBL11281999 0.87 HIF1A (0.52) HIF1AALDH1A1LMNACYP3A4ADRB2
SCHEMBL11288212 0.85 LMNA (0.46) HIF1AALDH1A1LMNACYP3A4ADRB2
SCHEMBL11279956 0.85 HIF1A (0.54) HIF1AALDH1A1LMNACYP3A4ADRB2
SCHEMBL11280679 0.84 ADRB2 (0.39) HIF1AALDH1A1LMNACYP3A4ADRB2
SCHEMBL11289635 0.84 ADRB2 (0.59) HIF1ALMNACYP3A4ADRB2ADRB1
SCHEMBL11283530 0.84 ADRB2 (0.52) HIF1AALDH1A1LMNAADRB2ADRB1
SCHEMBL11285938 0.83 PMP22 (0.47) HIF1ALMNAADRB2ADRB1CYP1A2
SCHEMBL11287951 0.83 ADRB2 (0.52) HIF1AADRB2ADRB1CYP1A2CYP2D6
SCHEMBL11284504 0.80 ADRB2 (0.49) HIF1AALDH1A1LMNACYP3A4ADRB2

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