SCHEMBL12024339

SCHEMBL12024339

CC(O)(c1ccc2c(c1)SCCN2C(=O)C1CCC1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.40
▸ NR1I2 O75469 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ HSD11B1 P28845 5/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL3620207 0.89 RORC (0.51) RORCNR1I2NR1H2NR1H3SMN1; SMN2
SCHEMBL12023875 0.77 LMNA (0.41) RORCNR1I2NR1H2NR1H3HSD11B1
SCHEMBL12023897 0.74 POLB (0.50) RORCNOTUMPOLBCYP1A2CYP2C9
SCHEMBL3626261 0.70 RORC (0.53) RORCNR1I2NR1H2NR1H3NOTUM
SCHEMBL3621138 0.67 RORC (0.45) RORCNR1I2NR1H2NR1H3
SCHEMBL3621143 0.67 RORC (0.45) RORCNR1I2NR1H2NR1H3
SCHEMBL7382580 0.65 NOTUM (0.44) RORCNR1I2NR1H2NR1H3NOTUM
SCHEMBL3619476 0.64 RORC (0.57) RORCNR1I2NR1H2NR1H3NOTUM
SCHEMBL11603760 0.64 NR1H3 (0.54) RORCNR1I2NR1H2NR1H3NOTUM
SCHEMBL7669092 0.64 MAPT (0.43) RORCNOTUM

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
EP-2392567-A1 BENZOTHIAZINE DERIVATIVES AND THEIR USE AS LXR MODULATORS Bristol-Myers Squibb Company (US) 2011-12-07 — — EP disclosed
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