SCHEMBL13063794

SCHEMBL13063794

CCC(C)(CC)Oc1ccc(Cc2ccc(OC(=O)C(C)C)c(Cl)c2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
ADRB2 P07550 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
PRSS1 P07477 1/20 0.36
TMPRSS15 P98073 1/20 0.36
CSNK2A1 P68400 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKT1 P31749 1/20 0.36
CFD P00746 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL13063790 0.85 CYP2C19 (0.41) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL13063796 0.84 ALOX15 (0.47) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL13063792 0.80 CYP2C19 (0.39) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL14679470 0.75 PPARA (0.39) OPRK1PPARDPPARACFDCYP2C19
SCHEMBL13328519 0.72 VDR (0.42) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL13063789 0.72 ALOX15 (0.42) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL14282605 0.72 KMT2A (0.53) ALOX15TSHRSMN1; SMN2CYP3A4CYP1A2
SCHEMBL13662195 0.70 RXRA (0.42) PPARDPPARASMN1; SMN2CYP3A4CYP1A2
SCHEMBL14257716 0.70 CSNK2A1 (0.43) PPARDPPARACSNK2A1SMN1; SMN2LMNA
SCHEMBL14679478 0.69 OPRK1 (0.37) OPRK1PPARDPPARACFDFBP1

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-20100329748-A1 DEVELOPING DEVICE AND IMAGE FORMING APPARATUS USING THE DEVELOPING DEVICE RICOH COMPANY, LTD. (JP) 2010-12-30 US disclosed