SCHEMBL20002205

SCHEMBL20002205

CC(OCC1CC1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIPA P38571 1/20 0.32
RIPK1 Q13546 1/20 0.31

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
SCHEMBL20002206 0.91 CYP1A2 (0.32)
SCHEMBL20002203 0.91
SCHEMBL20002818 0.90 LIPA (0.32) LIPA
SCHEMBL20002204 0.89 CYP1A2 (0.35)
SCHEMBL20002224 0.86 RORC (0.34)
SCHEMBL20003106 0.84
SCHEMBL16015899 0.80
SCHEMBL20002222 0.78 SLC6A2 (0.36)
SCHEMBL16886222 0.77 LIPA (0.31) LIPA
SCHEMBL10202773 0.76 RIPK1 (0.31) RIPK1

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