SCHEMBL11033192

SCHEMBL11033192

Cc1cc(N)c(C)c(Cl)c1Oc1ccc(Cl)c2c1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
GPR84 Q9NQS5 1/20 0.32
ACHE P22303 10/20 0.32
BCHE P06276 7/20 0.32
CD44 P16070 1/20 0.32
PARP1 P09874 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
BRD4 O60885 1/20 0.30
BRDT Q58F21 1/20 0.30
CREBBP Q92793 1/20 0.30
CECR2 Q9BXF3 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 1/20 0.30

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
SCHEMBL11028001 0.85 GAA (0.33) THRATHRB
SCHEMBL10964036 0.83 THRA (0.40) THRATHRBGPR84ACHEBCHE
SCHEMBL11285365 0.83 HTR2A (0.37) ACHEBCHE
SCHEMBL11031125 0.81 THRA (0.36) THRATHRBGPR84ACHEBCHE
SCHEMBL11028290 0.79 S1PR4 (0.36) THRATHRB
SCHEMBL10495936 0.77 HPGD (0.43)
SCHEMBL10963916 0.77 GPR84 (0.36) THRATHRBGPR84ACHEBCHE
SCHEMBL8656968 0.77 ESRRA (0.43) GPR84CD44
SCHEMBL10773706 0.76 NPC1 (0.39) GPR84ACHEBCHECD44ADRA2A
SCHEMBL8658822 0.76 ALDH1A1 (0.40) THRBACHECD44

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-4426385-A Insecticidal bicyclooxyphenyl ureas UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed