SCHEMBL20002924

SCHEMBL20002924

O=CC1CCC(O)(C(=O)N2CCC([S+]([O-])c3ccc(F)cc3)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
RORC P51449 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
FASN P49327 2/20 0.31
HSD11B1 P28845 4/20 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
SCHEMBL20002207 0.86 RORC (0.45) RORCNPC1RAB9AATM
SCHEMBL20002171 0.85 KMT2A (0.38) MAPK1RORCNPC1RAB9AATM
SCHEMBL20002445 0.85 RORC (0.41) MAPK1RORCNPC1RAB9AATM
SCHEMBL20002926 0.84 RORC (0.43) MAPK1RORC
SCHEMBL20002631 0.83 HSD11B1 (0.33) RORCNPC1RAB9AATMHSD11B1
SCHEMBL20003044 0.78 RORC (0.40) RORCNPC1RAB9AATM
SCHEMBL20002748 0.77 RORC (0.39) RORCNPC1RAB9AATMHSD11B1
SCHEMBL20003241 0.76 RORC (0.41) RORCNPC1RAB9AATMHSD11B1
SCHEMBL20003139 0.76 RAB9A (0.33) MAPK1RORCNPC1RAB9AATM
SCHEMBL20002856 0.75 RORC (0.42) RORCNPC1RAB9AATMHSD11B1

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