SCHEMBL20003180

SCHEMBL20003180

Cc1cc(S(=O)(=O)C2CCN(C(=O)C34CCC(C(=O)O)(CC3)CC4)C2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.54
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MME P08473 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38

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
SCHEMBL20003236 0.83 RORC (0.45) RORC
SCHEMBL20002822 0.83 RORC (0.58) RORC
SCHEMBL20003061 0.79 RORC (0.54) RORC
SCHEMBL20002927 0.78 ALDH1A1 (0.46) RORC
SCHEMBL20002976 0.76 RORC (0.43) RORC
SCHEMBL20003009 0.72 RORC (0.54) RORC
SCHEMBL20002828 0.71 RORC (0.54) RORC
SCHEMBL20003055 0.70 RORC (0.42) RORC
SCHEMBL16886734 0.70 RORC (1.00) RORC
SCHEMBL20002767 0.70 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