SCHEMBL30639701

SCHEMBL30639701

CC1(C)OB(c2ccc3oc(=O)n(C(F)F)c3c2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.37
LIPG Q9Y5X9 8/20 0.37
CSF1R P07333 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
ROCK1 Q13464 1/20 0.34
BACE1 P56817 3/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PRMT5 O14744 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
SCHEMBL26614656 1.00 LPL (0.37) LPLLIPGCSF1RIRAK4ROCK1
SCHEMBL20356417 0.88 CSF1R (0.37) LPLLIPGCSF1RIRAK4ROCK1
SCHEMBL29592995 0.88 CSF1R (0.37) LPLLIPGCSF1RIRAK4ROCK1
SCHEMBL782545 0.81 DDB1 (0.42) LPLLIPGCSF1RIRAK4CA1
SCHEMBL16362028 0.78 JAK2 (0.32)
SCHEMBL16475230 0.77 LPL (0.40) LPLLIPGCSF1RIDO1
SCHEMBL30639699 0.77 LPL (0.40) LPLLIPGCSF1RIDO1
SCHEMBL29455590 0.77 CSF1R (0.37) LPLLIPGCSF1RIRAK4ROCK1
SCHEMBL782308 0.75 LPL (0.41) LPLLIPGIDO1
SCHEMBL29038853 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514788-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2025-03-05 EP disclosed
WO-2023209368-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2023-11-02 WO disclosed