SCHEMBL9764461

SCHEMBL9764461

COCc1ccc(CCCOCCCCCCBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNH2 Q12809 3/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CALM1 P0DP23 1/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM2 P08172 2/20 0.34
ADRA2C P18825 2/20 0.34
HRH1 P35367 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL10488103 0.88 TDP1 (0.45) TDP1L3MBTL1KCNH2THRATHRB
SCHEMBL9574168 0.83 TDP1 (0.59) TDP1L3MBTL1CALM1CHRM2SIGMAR1
SCHEMBL9762727 0.82 TDP1 (0.38) TDP1L3MBTL1KCNH2THRATHRB
SCHEMBL9763690 0.81 TAAR1 (0.41) TDP1L3MBTL1KCNH2SLC6A2SLC6A4
SCHEMBL9574323 0.80 TDP1 (0.63) TDP1L3MBTL1CALM1MEN1ALDH1A1
SCHEMBL10465525 0.79 KCNH2 (0.46) TDP1L3MBTL1KCNH2THRATHRB
SCHEMBL9574237 0.79 TAAR1 (0.39) TDP1L3MBTL1KCNH2THRATHRB
SCHEMBL9763640 0.79 MEN1 (0.39) TDP1L3MBTL1KCNH2THRATHRB
SCHEMBL9762902 0.79 CYP4A11 (0.45) TDP1L3MBTL1KCNH2THRATHRB
SCHEMBL9262777 0.79 IDO1 (0.52) TDP1L3MBTL1MEN1LMNAKMT2A

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-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed