SCHEMBL9670640

SCHEMBL9670640

BrCCCCCc1ccc(CCCCCBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSPD1 P10809 1/20 0.44
ADRB3 P13945 1/20 0.44
HTR2C P28335 1/20 0.44
HSPE1 P61604 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL9673289 1.00 THRA (0.50) THRATHRBESR1ADRA2AADORA3
SCHEMBL9673266 1.00 THRA (0.50) THRATHRBESR1ADRA2AADORA3
SCHEMBL9670792 1.00 THRA (0.50) THRATHRBESR1ADRA2AADORA3
SCHEMBL2177163 0.97 THRA (0.47) THRATHRBESR1ADRA2AADORA3
SCHEMBL8072828 0.90 TAAR1 (0.50) THRATHRBESR1ADRA2AADORA3
SCHEMBL8062227 0.90 TAAR1 (0.50) THRATHRBESR1ADRA2AADORA3
SCHEMBL3745225 0.90 TAAR1 (0.50) THRATHRBESR1ADRA2AADORA3
SCHEMBL5795842 0.90 TAAR1 (0.50) THRATHRBESR1ADRA2AADORA3
SCHEMBL8070958 0.90 TAAR1 (0.50) THRATHRBESR1ADRA2AADORA3
SCHEMBL8071279 0.90 TAAR1 (0.50) THRATHRBESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed