SCHEMBL20149094

SCHEMBL20149094

CC(C)C(=O)C1CCC[C@@H](c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)[C@@H](c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.49
NR1H3 Q13133 1/20 0.39
MLYCD O95822 2/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL20149055 0.71 RORC (0.56) RORCNR1I2
SCHEMBL20149102 0.67 RORC (0.68) RORCNR1I2
SCHEMBL20149260 0.67 RORC (0.54) RORCNR1H3MLYCDNR1I2
SCHEMBL23713056 0.66 RORC (1.00) RORCNR1I2
SCHEMBL15113836 0.65 KCNQ3 (0.61)
Bicarbonate SCHEMBL7569185 0.65 MEN1 (0.57)
SCHEMBL20149112 0.64 RORC (1.00) RORC
SCHEMBL20149585 0.64 RORC (1.00) RORCNR1I2
SCHEMBL23713002 0.64 RORC (1.00) RORCNR1I2
SCHEMBL20149087 0.64 RORC (0.75) RORCNR1I2

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-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed