SCHEMBL11286260

SCHEMBL11286260

CC(C)(C)CC(=O)Oc1ccc(C(CNC(C)(C)C)CS(=O)(=O)O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.40
HIF1A Q16665 3/20 0.38
LMNA P02545 3/20 0.38
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
ADRB2 P07550 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
ADRB1 P08588 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL11280914 0.88 HIF1A (0.45) PMP22HIF1ALMNAKDM4ECASP1
SCHEMBL11283478 0.85 ADRB2 (0.42) PMP22HIF1ALMNAKDM4ECASP1
SCHEMBL11286263 0.84 PMP22 (0.55) PMP22HIF1ALMNAKDM4ECASP1
SCHEMBL11287925 0.83 PMP22 (0.38) PMP22HIF1ALMNAKDM4ECASP1
SCHEMBL11282282 0.80 PMP22 (0.39) PMP22HIF1ALMNAKDM4ECASP1
SCHEMBL11277415 0.77 TBXA2R (0.39) PMP22HIF1ALMNAKDM4ECASP1
SCHEMBL11287417 0.76 ALOX15 (0.45) HIF1ALMNAKMT2AADRB2CA2
SCHEMBL11283807 0.76 ALOX15 (0.45) HIF1ALMNAKMT2AADRB2CA2
SCHEMBL11288390 0.76 ALOX15 (0.45) HIF1ALMNAKMT2AADRB2CA2
SCHEMBL11282472 0.74 ADRB2 (0.38) PMP22HIF1ALMNAKDM4ECASP1

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