SCHEMBL6399457

SCHEMBL6399457

CCCCCCOc1c(-c2nc(OC)nc(-c3ccccc3)n2)ccc(CC)c1CC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.37
PTPN1 P18031 2/20 0.36
PTPN11 Q06124 5/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK8 P45983 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
Diethylene Glycol Monoethyl Ether SCHEMBL6065116 0.90 THRB (0.34) SOAT1PTPN11THRATHRBKDM4E
SCHEMBL697379 0.82 PDE5A (0.39) SOAT1PTPN1PTPN11THRATHRB
SCHEMBL627672 0.80 CYP1A2 (0.39) KDM4EALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL27875103 0.78 SOAT1 (0.50) SOAT1PTPN1THRATHRBKDM4E
SCHEMBL31099296 0.76 SOAT1 (0.45) SOAT1PTPN1PTPN11CYP1A2CYP2C19
SCHEMBL27615672 0.75 SOAT1 (0.55) SOAT1PTPN1THRATHRB
SCHEMBL1372005 0.74 LMNA (0.36) PTPN11THRATHRBCYP1A2MAPT
SCHEMBL3382014 0.73 PTPN11 (0.36) PTPN11THRATHRBALDH1A1MAPT
SCHEMBL4248262 0.73 SOAT1 (0.40) SOAT1PTPN1PTPN11THRATHRB
SCHEMBL1722952 0.72 PAX8 (0.35) PTPN11MAPT

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-20050129756-A1 UV-stable, liquid or semisolid transdermal pharmaceutical preparation with light sensitive active ingredient SCHERING AG (DE) 2005-06-16 US disclosed