SCHEMBL11288231

SCHEMBL11288231

CCCCCCCCCCCCCCCCCC(=O)OC(CNC(C)(C)C)c1ccc(OC(=O)c2ccc(C)cc2)c(COC(=O)c2ccc(C)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ADRB2 P07550 6/20 0.35
ADRB1 P08588 6/20 0.35
ADRB3 P13945 6/20 0.35
ALOX15 P16050 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MGLL Q99685 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
TOP2A P11388 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SLC2A1 P11166 1/20 0.32

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
SCHEMBL11280679 0.85 ADRB2 (0.39) MAPTADRB2ADRB1ADRB3RXFP1
SCHEMBL11288225 0.83 ALOX15 (0.36) MAPTRECQLALOX15RXFP1MGLL
SCHEMBL11288228 0.82 ENPP2 (0.38) L3MBTL1GAATDP1CNR1CNR2
SCHEMBL11290216 0.77 PMP22 (0.48) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL11290108 0.75 ALOX15 (0.42) ADRB2ADRB3ALOX15TOP2ALMNA
SCHEMBL11428882 0.74 CCR5 (0.41) ADRB2ADRB1ADRB3LMNAHPGD
SCHEMBL11284617 0.74 ALOX15 (0.47) ALOX15MGLLL3MBTL1GAATDP1
SCHEMBL11281997 0.74 HIF1A (0.51) ADRB2ADRB1ADRB3TDP1LMNA
SCHEMBL11283530 0.72 ADRB2 (0.52) MAPTADRB2ADRB1ADRB3RXFP1
SCHEMBL11285938 0.71 PMP22 (0.47) ADRB2ADRB1ADRB3TDP1LMNA

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