SCHEMBL20002965

SCHEMBL20002965

CCCC1(C(=O)N2CCC([S+]([O-])c3ccc(F)cc3)C2)CCC(C)(C(=O)O)OC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.34
TACR3 P29371 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL20002508 0.80 RORC (0.35) RORCTACR3SMN1; SMN2GFER
SCHEMBL20002752 0.77 TACR3 (0.34) RORCTACR3
SCHEMBL20003052 0.77 HSD11B1 (0.38) RORCTACR3SMN1; SMN2GFER
SCHEMBL20003044 0.74 RORC (0.40) RORCSMN1; SMN2
SCHEMBL20002819 0.74 RORC (0.44) RORCSMN1; SMN2
SCHEMBL20002187 0.74 RORC (0.44) RORCSMN1; SMN2
SCHEMBL20003241 0.72 RORC (0.41) RORCSMN1; SMN2
SCHEMBL20002166 0.72 RORC (0.40) RORCTACR3SMN1; SMN2
SCHEMBL20002856 0.72 RORC (0.42) RORCSMN1; SMN2
SCHEMBL20002926 0.72 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