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SCHEMBL14215810

SCHEMBL14215810

CCOC(=O)c1nccc2cc(-c3ccc(OCC4C(c5c(Cl)cccc5Cl)=NOC4C(C)C)cc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 18/20 0.49
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ JAK2 O60674 1/20 0.37
▸ TYK2 P29597 1/20 0.37

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
SCHEMBL14215811 0.91 NR1H4 (0.59) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL13999631 0.88 NR1H4 (0.40) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL14215783 0.86 NR1H4 (0.50) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL14215809 0.83 KDM4E (0.44) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL14215912 0.82 NR1H4 (0.51) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL14215905 0.82 NR1H4 (0.51) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL13999492 0.82 ALDH1A1 (0.38) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL14215706 0.81 NR1H4 (0.49) NR1H4CYP1A2CYP2C9
SCHEMBL14215772 0.79 NR1H4 (0.59) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL14215704 0.79 NR1H4 (0.60) NR1H4CYP1A2CYP2C9NR1I2CYP3A4

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-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 — — WO disclosed