SCHEMBL2794014

SCHEMBL2794014

CCCCCCCCOC(=O)CCc1ccc(O)c(-c2ccccc2-c2c[nH]nn2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
RXRA P19793 1/20 0.42
P2RY10 O00398 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR174 Q9BXC1 3/20 0.38
GPR34 Q9UPC5 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
SCHEMBL2995152 0.84 CNR2 (0.37) P2RY10ALDH1A1KDM4ELMNACNR2
SCHEMBL19359020 0.77 APP (0.71) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL9001745 0.76 PTPN11 (0.49) ALDH1A1CNR2
SCHEMBL3919073 0.75 EPHX2 (0.37) P2RY10ALDH1A1CNR1CNR2
SCHEMBL6654228 0.74 CNR1 (0.38) CNR1CNR2
SCHEMBL28969124 0.74 APP (0.55) APPCYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL9362271 0.74 RXRA (0.57) APPRXRACYP1A2CYP3A4CYP2C8
SCHEMBL9358181 0.74 RXRA (0.57) APPRXRACYP1A2CYP3A4CYP2C8
SCHEMBL9358161 0.74 RXRA (0.57) APPRXRACYP1A2CYP3A4CYP2C8
SCHEMBL9362039 0.74 RXRA (0.57) APPRXRACYP1A2CYP3A4CYP2C8

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-2010060698-A2 PIGMENT COMPOSITIONS BASF SE (DE) 2010-06-03 WO disclosed