SCHEMBL3354448

SCHEMBL3354448

O=C(O)C1CC12CCCc1ccc(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.44
FFAR1 O14842 2/20 0.42
SIGMAR1 Q99720 3/20 0.40
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC22A1 O15245 1/20 0.39
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL16473721 1.00 KDM1A (0.44) KDM1AFFAR1SIGMAR1NR1H2NR1H3
SCHEMBL12389149 0.91 KDM1A (0.49) KDM1AFFAR1NR1H2NR1H3LMNA
SCHEMBL2311267 0.87 FFAR1 (0.42) KDM1AFFAR1SIGMAR1NR1H2NR1H3
SCHEMBL2312379 0.87 FFAR1 (0.42) KDM1AFFAR1SIGMAR1NR1H2NR1H3
SCHEMBL2313463 0.87 FFAR1 (0.42) KDM1AFFAR1SIGMAR1NR1H2NR1H3
SCHEMBL2313640 0.87 FFAR1 (0.42) KDM1AFFAR1SIGMAR1NR1H2NR1H3
SCHEMBL2312767 0.87 FFAR1 (0.42) KDM1AFFAR1SIGMAR1NR1H2NR1H3
SCHEMBL17988204 0.84 KDM1A (0.62) KDM1AFFAR1
SCHEMBL30015902 0.84 KDM1A (0.50) KDM1AFFAR1
SCHEMBL17988190 0.84 KDM1A (0.62) KDM1AFFAR1

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-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed