SCHEMBL9760957

SCHEMBL9760957

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
MLYCD O95822 1/20 0.43
RARB P10826 3/20 0.41

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
SCHEMBL10488145 0.83 THRA (0.49) THRATHRBALDH1A1HPGDMAPT
SCHEMBL9763439 0.83 THRA (0.49) THRATHRBALDH1A1HPGDMAPT
SCHEMBL2399439 0.81 THRA (0.61) THRATHRBALDH1A1MAPTRARB
SCHEMBL3185726 0.81 THRA (0.61) THRATHRBALDH1A1MAPTRARB
SCHEMBL9760144 0.80 ALDH1A1 (0.46) THRATHRBALDH1A1HPGDMAPT
SCHEMBL9761148 0.77 CYP4A11 (0.58) THRATHRBALDH1A1HPGDMAPT
SCHEMBL9761178 0.76 HPGD (0.51) THRATHRBALDH1A1HPGDMAPT
SCHEMBL1056167 0.75 HPGD (0.58) ALDH1A1HPGDMAPTNPC1LMNA
SCHEMBL3563407 0.75 ESR1 (0.58) THRBALDH1A1HPGDMAPTNPC1
SCHEMBL5703500 0.73 HPGD (0.73) ALDH1A1HPGDMAPTNPC1LMNA

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-4990664-A Drug for asthma or chronic bronchitis GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
EP-0303466-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed