SCHEMBL11271824

SCHEMBL11271824

CCCCOC(=O)C1(CCCCCCc2ccc(Cl)c(Cl)c2)CO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
SIGMAR1 Q99720 2/20 0.39
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
FFAR1 O14842 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
PYGL P06737 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL11272940 0.90 LMNA (0.58) ABCB11LMNAMAPTMAPK1SIGMAR1
SCHEMBL11269045 0.89 MAPT (0.57) ABCB11LMNAMAPTMAPK1SIGMAR1
SCHEMBL11292589 0.86 LMNA (0.65) ABCB11LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL11267381 0.85 MAPT (0.55) ABCB11LMNAMAPTMAPK1SIGMAR1
SCHEMBL11135851 0.83 ABCB11 (0.44) ABCB11LMNAMAPTMAPK1SIGMAR1
SCHEMBL11268845 0.81 LMNA (0.61) ABCB11LMNAMAPTMAPK1HDAC6
SCHEMBL11274582 0.80 ABCB11 (0.53) ABCB11LMNAMAPTMAPK1L3MBTL1
SCHEMBL11261344 0.80 TSHR (0.46) ABCB11LMNAMAPTMAPK1SIGMAR1
SCHEMBL11261223 0.79 ABCB11 (0.59) ABCB11LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL11276117 0.79 MAPT (0.44) ABCB11LMNAMAPTMAPK1TDP1

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
US-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed