SCHEMBL21600544

SCHEMBL21600544

CCC(=O)n1ccc2c(/C=C/C(=O)OC(C)(C)C)cccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ TBXAS1 P24557 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ IDH1 O75874 16/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3165128 0.82 L3MBTL1 (0.48) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL3165118 0.82 L3MBTL1 (0.48) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL6192906 0.76 APP (0.43) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL6192897 0.76 APP (0.43) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL3165886 0.74 L3MBTL1 (0.41) IDH1L3MBTL1
SCHEMBL3165880 0.74 L3MBTL1 (0.41) IDH1L3MBTL1
SCHEMBL26300944 0.73 L3MBTL1 (0.43) IDH1L3MBTL1
SCHEMBL3175956 0.73 ACHE (0.41) IDH1L3MBTL1
SCHEMBL3175970 0.73 ACHE (0.41) IDH1L3MBTL1
SCHEMBL3165129 0.73 HDAC3 (0.44) CYP2C9CYP2C19IDH1

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
EP-3202766-B1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO CO LTD (JP) 2019-12-25 — — EP disclosed
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