SCHEMBL11280914

SCHEMBL11280914

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRB2 P07550 3/20 0.44
PMP22 Q01453 1/20 0.41
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
CA2 P00918 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
ADRB1 P08588 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL11287925 0.89 PMP22 (0.38) HIF1ALMNAALDH1A1CYP3A4ADRB2
SCHEMBL11286260 0.88 PMP22 (0.40) HIF1ALMNAALDH1A1CYP3A4ADRB2
SCHEMBL11283478 0.86 ADRB2 (0.42) HIF1ALMNAADRB2PMP22KDM4E
SCHEMBL11279951 0.85 HIF1A (0.42) HIF1ALMNAALDH1A1CYP3A4ADRB2
SCHEMBL11280916 0.84 HIF1A (0.58) HIF1ALMNAALDH1A1CYP3A4ADRB2
SCHEMBL11282282 0.81 PMP22 (0.39) HIF1ALMNAADRB2PMP22KDM4E
SCHEMBL11281251 0.80 HIF1A (0.42) HIF1ALMNAALDH1A1CYP3A4ADRB2
SCHEMBL11277415 0.78 TBXA2R (0.39) HIF1ALMNAADRB2PMP22KDM4E
SCHEMBL11282472 0.75 ADRB2 (0.38) HIF1ALMNAALDH1A1CYP3A4ADRB2
SCHEMBL11287417 0.74 ALOX15 (0.45) HIF1ALMNAALDH1A1CYP3A4ADRB2

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 4 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 claimed
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