SCHEMBL20002774

SCHEMBL20002774

Cc1cccc(F)c1COC(C)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
RORC P51449 13/20 0.35
EED O75530 3/20 0.34
PKM P14618 1/20 0.33
NR1I2 O75469 2/20 0.33
KMT2A Q03164 1/20 0.31

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
SCHEMBL20002737 0.90 SLC22A12 (0.33)
SCHEMBL18799682 0.90 RORC (0.40) RORCNR1I2
SCHEMBL16886235 0.84 ACHE (0.34) ACHERORCEEDPKMNR1I2
SCHEMBL16886260 0.83 RORC (0.39) RORCNR1I2
SCHEMBL20002812 0.82 TAAR1 (0.46) KMT2A
SCHEMBL20002194 0.81 KDM1A (0.39) RORCKMT2A
SCHEMBL20002758 0.80 RORC (0.36) RORC
SCHEMBL20001981 0.78 RORC (0.37) RORCNR1I2
SCHEMBL18214991 0.75 RORC (0.40) RORCNR1I2
SCHEMBL13248032 0.74 ACHE (0.44) ACHEEEDPKMKMT2A

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-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed