SCHEMBL13282968

SCHEMBL13282968

CCCCC(CC)Cn1ccc2cc(CC)ccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.40
HTR2A P28223 6/20 0.40
PLA2G4A P47712 7/20 0.35
OXER1 Q8TDS5 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
BDKRB2 P30411 1/20 0.33
HTR7 P34969 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33

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
SCHEMBL3360221 0.84 HTR2C (0.58) HTR2CHTR2AHTR7
SCHEMBL3360842 0.83 HTR2C (0.59) HTR2CHTR2APLA2G4A
SCHEMBL3361269 0.81 NTSR1 (0.45) HTR2CHTR2APPARG
SCHEMBL4392885 0.81 HTR2C (0.47) HTR2CHTR2APLA2G4A
SCHEMBL29556369 0.80 CDK4 (0.49) HTR2CHTR2A
SCHEMBL3360887 0.80 CDK4 (0.49) HTR2CHTR2A
SCHEMBL18856945 0.78 PLG (0.45) PLA2G4AOXER1HTR7KCNQ3KCNQ2
SCHEMBL22930082 0.78 HTR2C (0.50) HTR2CHTR2AHTR7
SCHEMBL16479302 0.75 HTR7 (0.46) HTR2CHTR2AHTR7
SCHEMBL18856898 0.75 CYP1A2 (0.41) HTR2CHTR2APPARGPPARDPPARA

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
WO-2010081835-A2 BIS-RESORCINYL-TRIAZINE DERIVATIVES AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S. A. (ES) 2010-07-22 WO disclosed