SCHEMBL20002561

SCHEMBL20002561

COC1(C(=O)N2CCC([S+]([O-])c3ccc(F)c(C)c3)C2)CCC(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.50
GAA P10253 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL20002735 0.89 RORC (0.47) RORC
SCHEMBL20003110 0.88 RORC (0.41) RORCGRIN2B
SCHEMBL20003010 0.83 RORC (0.43) RORC
SCHEMBL20002976 0.82 RORC (0.43) RORC
SCHEMBL20003094 0.80 TACR3 (0.33) RORCGRIN2B
SCHEMBL20002748 0.77 RORC (0.39) RORCGAA
SCHEMBL20003077 0.76 RORC (0.48) RORC
SCHEMBL20002622 0.75 RORC (0.49) RORCGAA
SCHEMBL20002207 0.74 RORC (0.45) RORC
SCHEMBL20002767 0.74 RORC (0.43) RORC

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