SCHEMBL9101253

SCHEMBL9101253

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)c1ccc(C=Cc2ccc(S(=O)(=O)CCCO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.45
▸ THRA P10827 1/20 0.45
▸ CA2 P00918 2/20 0.44
▸ CNR2 P34972 7/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ INSR P06213 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ SERPINE1 P05121 1/20 0.38

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
SCHEMBL9099156 1.00 THRB (0.45) THRBTHRACA2CNR2MCHR1
SCHEMBL9100027 0.96 THRB (0.47) THRBTHRACA2CNR2MCHR1
SCHEMBL9099052 0.96 THRB (0.47) THRBTHRACA2CNR2MCHR1
SCHEMBL9103079 0.96 THRB (0.47) THRBTHRACA2CNR2MCHR1
SCHEMBL9101084 0.96 THRB (0.47) THRBTHRACA2CNR2MCHR1
SCHEMBL9101855 0.96 THRB (0.47) THRBTHRACA2CNR2MCHR1
SCHEMBL9099985 0.96 THRB (0.47) THRBTHRACA2CNR2MCHR1
SCHEMBL9099062 0.96 THRB (0.47) THRBTHRACA2CNR2MCHR1
SCHEMBL9100230 0.96 THRB (0.47) THRBTHRACA2CNR2MCHR1
SCHEMBL9099957 0.96 THRB (0.47) THRBTHRACA2CNR2MCHR1

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-5517350-A Optical component based on Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 — — US disclosed
EP-0596325-A1 Optical element with Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 — — EP disclosed
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