SCHEMBL10488103

SCHEMBL10488103

COCCCc1ccc(CCCCOCCCCCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KCNH2 Q12809 3/20 0.36
SLC6A2 P23975 4/20 0.35

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
SCHEMBL9764461 0.88 TDP1 (0.48) TDP1L3MBTL1THRATHRBSPHK1
SCHEMBL9574323 0.85 TDP1 (0.63) TDP1L3MBTL1ALDH1A1LMNACYP3A4
SCHEMBL9574168 0.85 TDP1 (0.59) TDP1L3MBTL1CHRM2SIGMAR1
SCHEMBL10465525 0.84 KCNH2 (0.46) TDP1L3MBTL1THRATHRBSPHK1
SCHEMBL9762727 0.84 TDP1 (0.38) TDP1L3MBTL1THRATHRBSPHK1
SCHEMBL9763690 0.82 TAAR1 (0.41) TDP1L3MBTL1ALDH1A1LMNACYP3A4
SCHEMBL6679345 0.81 TDP1 (0.40) TDP1L3MBTL1THRATHRBSPHK1
SCHEMBL9762902 0.81 CYP4A11 (0.45) TDP1L3MBTL1THRATHRBSPHK1
SCHEMBL9763640 0.81 MEN1 (0.39) TDP1L3MBTL1THRATHRBSPHK1
SCHEMBL18218371 0.81 L3MBTL1 (0.46) TDP1L3MBTL1SPHK1ALDH1A1LMNA

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 4 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
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed
EP-0178919-A2 Aminophenol derivatives GLAXO GROUP LIMITED (GB) 1986-04-23 EP disclosed