SCHEMBL29490757

SCHEMBL29490757

CC1(C)OB(c2ccc3ccc(=O)[nH]c3c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.44
LIPG Q9Y5X9 9/20 0.44
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA2 P00918 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
F11 P03951 1/20 0.37
P2RX7 Q99572 1/20 0.37
MAPK1 P28482 1/20 0.36
CSF1R P07333 1/20 0.36
PRMT5 O14744 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
SCHEMBL2172654 1.00 LPL (0.44) LPLLIPGCA9CA12CA1
SCHEMBL2098959 0.89 CA9 (0.50) LPLLIPGCA9CA12CA1
SCHEMBL24595098 0.79 LIPG (0.45) LPLLIPGCA9CA12CA1
SCHEMBL12099854 0.79 LPL (0.45) LPLLIPGCA9CA12CA1
SCHEMBL14214367 0.78 CYP2A6 (0.45) LPLLIPGCA9CA12CA1
SCHEMBL13718 0.78 LPL (0.46) LPLLIPGIRAK4MAPK1
SCHEMBL29513455 0.78 LPL (0.46) LPLLIPGIRAK4MAPK1
SCHEMBL1226551 0.78 LPL (0.42) LPLLIPGCA9CA12CA1
SCHEMBL20611918 0.77 EIF4A3 (0.50) LPLLIPGF11
SCHEMBL3261501 0.77 ALDH1A1 (0.43) LPLLIPGCA9CA12CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
EP-3986863-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BioMarin Pharmaceutical Inc. (US) 2022-04-27 EP disclosed