SCHEMBL29550889

SCHEMBL29550889

CC1(C)OB(c2cccc(C(F)(F)F)n2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
IDH1 O75874 6/20 0.36
IDH2 P48735 1/20 0.36
LPL P06858 6/20 0.35
LIPG Q9Y5X9 6/20 0.35
P2RX7 Q99572 1/20 0.34
ADRB1 P08588 1/20 0.33
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL584521 1.00 NOTUM (0.36) NOTUMIDH1IDH2LPLLIPG
SCHEMBL30286474 0.77 LPL (0.41) LPLLIPGP2RX7IRAK4
SCHEMBL1192256 0.77 LPL (0.41) LPLLIPGP2RX7IRAK4
SCHEMBL4211647 0.77 LPL (0.40) LPLLIPGP2RX7IRAK4
SCHEMBL25228405 0.77 FFAR1 (0.31) IDH1LPLLIPG
SCHEMBL17268323 0.75 CCR1 (0.45) LPLLIPGP2RX7IRAK4
SCHEMBL18342256 0.74 LPL (0.39) LPLLIPGP2RX7IRAK4
SCHEMBL13576201 0.74 LIPG (0.38) LPLLIPGP2RX7F11IRAK4
SCHEMBL29562655 0.74 LIPG (0.38) LPLLIPGP2RX7F11IRAK4
SCHEMBL201979 0.74 CYP3A4 (0.38) LPLLIPGP2RX7IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594309-A1 AZOLE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech Inc. (US) 2025-08-06 EP disclosed
WO-2025129135-A2 COMPOSITIONS COMPRISING USP1 INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-06-19 WO disclosed
EP-4436974-A1 SPIROCYCLIC BICYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
CN-118355008-A Preparation method of 1,3, 5-triazine derivative 正大天晴药业集团股份有限公司 2024-07-16 CN disclosed
WO-2024073662-A1 AZOLE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2024-04-04 WO disclosed
WO-2023097230-A1 SPIROCYCLIC BICYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
EP-4168411-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
EP-4038068-A1 N-SUBSTITUTED-4-OXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-10 EP disclosed
EP-3983075-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed