SCHEMBL16887693

SCHEMBL16887693

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
LMNA P02545 1/20 0.37
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ESR2 Q92731 1/20 0.32
PKM P14618 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HSD11B1 P28845 2/20 0.31
NR1H2 P55055 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL256670 0.84
Propionic Acid SCHEMBL28122151 0.80 FFAR3 (0.53) PLGPLATLMNATHRATHRB
SCHEMBL10067857 0.79 PLG (0.61) PLGPLATLMNATHRATHRB
SCHEMBL15712882 0.79 CYP2C9 (0.42) PLGPLATLMNATHRATHRB
SCHEMBL11933775 0.79 PLG (0.61) PLGPLATLMNATHRATHRB
SCHEMBL19362610 0.78 PRKCA (0.45) ESR1ALDH1A1MEN1KMT2A
SCHEMBL15478106 0.78 PLG (0.38) PLGPLATLMNATHRATHRB
SCHEMBL16892307 0.78 PLG (0.38) PLGPLATLMNATHRATHRB
SCHEMBL17614875 0.77 PLG (0.34) PLGPLATLMNATHRATHRB
SCHEMBL10479667 0.77 CYP2C9 (0.41) PLGPLATLMNATHRATHRB

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