SCHEMBL13328786

SCHEMBL13328786

Cc1ccccc1OCC(O)CN(CCO)CCO

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.60
▸ ALOX15 P16050 1/20 0.56
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ ADRB1 P08588 1/20 0.54
▸ ADRB3 P13945 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ATM Q13315 1/20 0.50

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
SCHEMBL21759058 0.81 POLB (0.59) KDM4ECYP1A2NPSR1ALOX15KMT2A
SCHEMBL18423672 0.81 KDM4E (0.82) KDM4ECYP1A2NPSR1ALOX15KMT2A
Mephenesin SCHEMBL6482337 0.79 CYP1A2 (1.00) KDM4ECYP1A2NPSR1ALOX15KMT2A
Mephenesin SCHEMBL29379669 0.79 CYP1A2 (1.00) KDM4ECYP1A2NPSR1ALOX15KMT2A
Mephenesin SCHEMBL332864 0.79 CYP1A2 (1.00) KDM4ECYP1A2NPSR1ALOX15KMT2A
Mephenesin SCHEMBL25448 0.79 CYP1A2 (1.00) KDM4ECYP1A2NPSR1ALOX15KMT2A
SCHEMBL12932609 0.79 KDM4E (0.64) KDM4ECYP1A2NPSR1ALOX15KMT2A
SCHEMBL31414644 0.78 ALDH1A1 (0.67) KDM4ENPSR1LMNAADRB2ADRB1
SCHEMBL31414645 0.78 ALDH1A1 (0.67) KDM4ENPSR1LMNAADRB2ADRB1
SCHEMBL1496735 0.78 KDM4E (0.72) KDM4ECYP1A2NPSR1ALOX15KMT2A

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
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