SCHEMBL20149019

SCHEMBL20149019

O=C1CC(c2ccc(F)cc2)C(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.57
NR1I2 O75469 2/20 0.43
RORA P35398 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
RORB Q92753 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KDM1A O60341 2/20 0.41

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
SCHEMBL20148977 0.79 RORC (0.46) RORCNR1I2NR1H2NR1H3
SCHEMBL8021367 0.77 NR1H2 (0.58) RORCNR1I2RORANR1H2NR1H3
SCHEMBL20148982 0.77 RORC (0.50) RORCNR1I2NR1H2NR1H3
SCHEMBL20149268 0.77 RORC (0.50) RORCNR1I2
SCHEMBL20140451 0.74 RORC (1.00) RORCNR1I2
SCHEMBL20140250 0.74 RORC (1.00) RORCNR1I2
SCHEMBL15467792 0.69 RORC (0.40) RORCNR1I2NR1H2NR1H3
SCHEMBL131990 0.69 NR1H2 (0.68) NR1H2NR1H3
SCHEMBL20149260 0.67 RORC (0.54) RORCNR1I2NR1H2NR1H3
Water SCHEMBL1684070 0.66 NR1H2 (0.65) NR1H2NR1H3

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