SCHEMBL20003228

SCHEMBL20003228

CC(=O)[C@]1(C)CC[C@@H](C(O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.32
CYP19A1 P11511 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
SCHEMBL20000455 0.78 FFAR3 (0.33) FFAR3
SCHEMBL5395002 0.75 CYP19A1 (0.35) FFAR3CYP19A1
SCHEMBL3190983 0.75 CYP19A1 (0.35) FFAR3CYP19A1
SCHEMBL5430804 0.75 CYP19A1 (0.35) FFAR3CYP19A1
SCHEMBL3190976 0.75 CYP19A1 (0.35) FFAR3CYP19A1
SCHEMBL18084129 0.75 FFAR3 (0.36) FFAR3CYP19A1
SCHEMBL20002734 0.75 FFAR3 (0.36) FFAR3CYP19A1
SCHEMBL17298612 0.73 FFAR3 (0.35) FFAR3CYP19A1
SCHEMBL17110186 0.73 FFAR3 (0.35) FFAR3CYP19A1
SCHEMBL811021 0.72

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