SCHEMBL20003010

SCHEMBL20003010

Cc1cc([S+]([O-])[C@H]2CCN(C(=O)C3CCC(C(=O)O)CC3)C2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.43
FPR1 P21462 2/20 0.37
FPR2 P25090 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 1/20 0.35

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 0.85 RORC (0.47) RORC
SCHEMBL20002751 0.84 NOTUM (0.42) RORC
SCHEMBL20002561 0.83 RORC (0.50) RORC
SCHEMBL20002759 0.82 GFER (0.43) RORCALDH1A1
SCHEMBL20002995 0.80 GFER (0.50) ALDH1A1
SCHEMBL20002976 0.79 RORC (0.43) RORC
SCHEMBL20002230 0.78 MTNR1B (0.41) RORCMTNR1BALDH1A1
SCHEMBL20003077 0.76 RORC (0.48) RORCFPR1
SCHEMBL20003061 0.75 RORC (0.54) RORC
SCHEMBL20002685 0.75 HSD11B1 (0.41) RORCALDH1A1

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