SCHEMBL10488145

SCHEMBL10488145

CCN(CC)C(=O)c1ccc(CCCCOCCCCCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.44
SPHK1 Q9NYA1 1/20 0.44
MLYCD O95822 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9763439 1.00 THRA (0.49) THRATHRBALDH1A1MAPTNPC1
SCHEMBL9763048 0.87 THRA (0.47) THRATHRBALDH1A1HPGDSPHK1
SCHEMBL10488209 0.85 THRA (0.45) THRATHRBALDH1A1HPGDSPHK1
SCHEMBL10488170 0.84 LMNA (0.51) ALDH1A1NPC1LMNARAB9AHPGD
SCHEMBL9760957 0.83 THRA (0.49) THRATHRBALDH1A1MAPTNPC1
SCHEMBL9796685 0.83 ALDH1A1 (0.47) THRATHRBALDH1A1MAPTNPC1
SCHEMBL9796936 0.81 ALDH1A1 (0.47) THRATHRBALDH1A1MAPTNPC1
SCHEMBL2399439 0.81 THRA (0.61) THRATHRBALDH1A1MAPTMEN1
SCHEMBL3185726 0.81 THRA (0.61) THRATHRBALDH1A1MAPTMEN1
SCHEMBL9763616 0.80 HRH3 (0.39) ALDH1A1MAPTNPC1LMNARAB9A

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