SCHEMBL13328792

SCHEMBL13328792

Cc1ccccc1OCC(O)CSCC(O)CO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.77
KDM4E B2RXH2 3/20 0.77
ALOX15 P16050 1/20 0.57
KMT2A Q03164 5/20 0.55
LMNA P02545 5/20 0.55
MEN1 O00255 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
AGTR1 P30556 1/20 0.54
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
NPY1R P25929 1/20 0.47

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
Mephenesin SCHEMBL29379669 0.87 CYP1A2 (1.00) CYP1A2KDM4EALOX15KMT2ALMNA
Mephenesin SCHEMBL6482337 0.87 CYP1A2 (1.00) CYP1A2KDM4EALOX15KMT2ALMNA
Mephenesin SCHEMBL332864 0.87 CYP1A2 (1.00) CYP1A2KDM4EALOX15KMT2ALMNA
Mephenesin SCHEMBL25448 0.87 CYP1A2 (1.00) CYP1A2KDM4EALOX15KMT2ALMNA
SCHEMBL5635036 0.87 CYP1A2 (0.65) CYP1A2KDM4EALOX15KMT2ALMNA
SCHEMBL13360698 0.84 KDM4E (0.70) CYP1A2KDM4EALOX15KMT2ALMNA
Mephenesin SCHEMBL6830756 0.84 CYP1A2 (0.93) CYP1A2KDM4EALOX15KMT2ALMNA
SCHEMBL18423672 0.82 KDM4E (0.82) CYP1A2KDM4EALOX15KMT2ALMNA
Mephenesin SCHEMBL8829925 0.80 CYP1A2 (0.84) CYP1A2KDM4EALOX15KMT2ALMNA
SCHEMBL13328794 0.79 KDM4E (0.55) CYP1A2KDM4EALOX15KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410210-B2 Fluorine-containing novolac resin, fluorine-containing surfactant, fluorine-containing surfactant composition, and resin composition DIC CORPORATION (JP) 2013-04-02 US disclosed
US-20100113678-A1 FLUORINE-CONTAINING NOVOLAC RESIN, FLUORINE-CONTAINING SURFACTANT, FLUORINE-CONTAINING SURFACTANT COMPOSITION, AND RESIN COMPOSITION DIC CORPORATION (JP) 2010-05-06 US disclosed