SCHEMBL16887652

SCHEMBL16887652

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
GRM4 Q14833 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRM5 P41594 1/20 0.34
MTOR P42345 1/20 0.34
GRM1 Q13255 1/20 0.34
PLCB1 Q9NQ66 1/20 0.34
RORC P51449 3/20 0.34
APLNR P35414 1/20 0.32
GABRP O00591 1/20 0.32

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
SCHEMBL28226552 0.85 CYP2C19 (0.40) LMNAPLGPLATGRM2GRM3
SCHEMBL16887635 0.85 LMNA (0.39) LMNAPLGPLATGRM2GRM3
SCHEMBL16892274 0.84 GRM2 (0.35) LMNAPLGPLATGRM2GRM3
SCHEMBL16887681 0.82 LMNA (0.37) LMNAPLGPLATGRM2GRM3
SCHEMBL16887659 0.79 LMNA (0.35) LMNAPLGPLATGRM2GRM3
SCHEMBL16887638 0.78 LMNA (0.34) LMNAPLGPLATGRM2GRM3
SCHEMBL9682979 0.77 GRM2 (0.38) LMNAPLGPLATGRM2GRM3
SCHEMBL10500775 0.76 APLNR (0.40) LMNAPLGPLATGRM2GRM3
SCHEMBL21242166 0.76 LMNA (0.41) LMNAPLGPLATGRM2GRM3
SCHEMBL16887682 0.76 LMNA (0.41) LMNAPLGPLATGRM2GRM3

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
WO-2015103509-A1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-09 WO disclosed