SCHEMBL10488209

SCHEMBL10488209

CCN(CC)C(=O)Cc1ccc(CCCCOCCCCCCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
ALDH1A1 P00352 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RARB P10826 3/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL9764421 0.88 THRA (0.43) THRATHRBALDH1A1SPHK1LTB4R
SCHEMBL9763439 0.85 THRA (0.49) THRATHRBALDH1A1SPHK1HPGD
SCHEMBL10488145 0.85 THRA (0.49) THRATHRBALDH1A1SPHK1HPGD
SCHEMBL9796685 0.80 ALDH1A1 (0.47) THRATHRBALDH1A1SPHK1HPGD
SCHEMBL9763155 0.79 HRH3 (0.46)
SCHEMBL9763048 0.78 THRA (0.47) THRATHRBALDH1A1SPHK1HPGD
SCHEMBL10465525 0.78 KCNH2 (0.46) THRATHRBALDH1A1SPHK1TDP1
SCHEMBL9763627 0.77 CA2 (0.43) THRATHRBSPHK1
SCHEMBL9796936 0.77 ALDH1A1 (0.47) THRATHRBALDH1A1SPHK1HPGD
SCHEMBL9762683 0.77 CA12 (0.47) THRATHRBALDH1A1SPHK1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed