SCHEMBL13328787

SCHEMBL13328787

Cc1ccccc1OCC(O)COc1ccc(C(C)(C)CC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ALOX15 P16050 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ ADRB3 P13945 1/20 0.48
▸ CYP2D6 P10635 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL25443071 0.87 KDM4E (0.59) KDM4ECYP1A2ALOX15SMN1; SMN2CYP3A4
SCHEMBL25443084 0.82 KDM4E (0.54) KDM4ECYP1A2ALOX15SMN1; SMN2CYP3A4
SCHEMBL25443083 0.80 KDM4E (0.70) KDM4ECYP1A2ALOX15SMN1; SMN2CYP3A4
SCHEMBL15677164 0.79 AR (0.62) SMN1; SMN2CYP3A4LMNAMAPTNPSR1
SCHEMBL15677151 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4KMT2AMEN1LMNA
SCHEMBL2108647 0.79 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4KMT2AMEN1LMNA
SCHEMBL18423672 0.78 KDM4E (0.82) KDM4ECYP1A2ALOX15SMN1; SMN2CYP3A4
SCHEMBL7879426 0.76 CYP3A4 (0.61) SMN1; SMN2CYP3A4KMT2AMEN1LMNA
SCHEMBL28000802 0.76 CYP3A4 (0.61) SMN1; SMN2CYP3A4KMT2AMEN1LMNA
SCHEMBL28001129 0.76 CYP3A4 (0.61) SMN1; SMN2CYP3A4KMT2AMEN1LMNA

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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