SCHEMBL24313803

SCHEMBL24313803

CC1(C)OB(c2ccc3cc(Oc4ccc(C=O)cn4)cnc3c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.39
DGAT1 O75907 1/20 0.39
LIPE Q05469 4/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
SCN9A Q15858 6/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
P4HB P07237 1/20 0.33
ALPL P05186 1/20 0.33
LTA4H P09960 1/20 0.33
HIF1A Q16665 1/20 0.32
SNCA P37840 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
SCHEMBL24313798 0.81 LIPE (0.43) DGAT1LIPESCN9ASCN10AALPL
SCHEMBL4561669 0.77 SNCA (0.47) ALDH1A1DGAT1LPLLIPGALPL
SCHEMBL27080362 0.76 ALPL (0.41) KDM4EALDH1A1POLBDGAT1LPL
SCHEMBL29984560 0.76 ALPL (0.41) KDM4EALDH1A1POLBDGAT1LPL
SCHEMBL20539098 0.73 LPL (0.49) LPLLIPGP4HB
SCHEMBL14842080 0.70 CYP1A2 (0.45) LPLLIPGALPLHIF1ASNCA
SCHEMBL6033638 0.69 LPL (0.47) LPLLIPGALPLSNCA
SCHEMBL14721612 0.69 EGFR (0.43) LPLLIPGALPLSNCA
SCHEMBL7601195 0.68 LIPG (0.58) DGAT1LPLLIPGSNCA
SCHEMBL2220666 0.68 SNCA (0.40) ALDH1A1DGAT1LPLLIPGALPL

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-2022077161-A1 COMPOUNDS FOR MODULATING ACTIVITY OF FXR AND USES THEREOF GANNEX PHARMA CO., LTD. (CN) 2022-04-21 WO disclosed