SCHEMBL13679441

SCHEMBL13679441

C=C(O)Cc1ccccc1CCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
LIPG Q9Y5X9 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
PPARD Q03181 1/20 0.34
CTBP2 P56545 1/20 0.33
AKR1B1 P15121 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
SCHEMBL6473031 0.84 AKR1B1 (0.42) CTBP2AKR1B1
Hydrogen Peroxide SCHEMBL29092952 0.84 LIPG (0.45) PPARGPPARALIPGHTR1AADRA2A
SCHEMBL6547299 0.82 MAOA (0.40) PPARGPPARA
SCHEMBL14700051 0.82 DAO (0.37) PPARGPPARACTBP2
Benzene SCHEMBL11786397 0.82 KDM4E (0.44) PPARGPPARALIPGHTR1AADRA2A
SCHEMBL5863279 0.81 PPARA (0.40) PPARGPPARACTBP2AKR1B1
SCHEMBL4032382 0.79 AKR1B1 (0.57) PPARGPPARAKDM4EALDH1A1HPGD
SCHEMBL142479 0.79 ADRA2B (0.44) PPARGPPARALIPGHTR1AADRA2A
SCHEMBL29488434 0.79 ADRA2B (0.44) PPARGPPARALIPGHTR1AADRA2A
SCHEMBL12802271 0.79 THRB (0.38) PPARGPPARALIPGHTR1AADRA2A

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
EP-1411046-B1 QUINOLINE DERIVATIVE AND QUINAZOLINE DERIVATIVE INHIBITING SELF-PHOSPHORYLATION OF HEPATOCYTUS PROLIFERATOR RECEPTOR, AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN PHARMA KK (JP) 2009-09-16 EP disclosed