SCHEMBL18012833

SCHEMBL18012833

CCCCCC/C(=N\OC(=O)c1ccccc1)c1ccc2c(c1)C(CC)(CC)c1cc(/C(CC)=N/OC(=O)c3ccccc3)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ CDK5R1 Q15078 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL18012725 0.92 MAPT (0.42) MAPTCES2CES1SMN1; SMN2CDK5
SCHEMBL18012829 0.88 CA2 (0.36) MAPTTHRBL3MBTL1NPSR1PKM
SCHEMBL18012727 0.85 MAPT (0.47) MAPTTHRBL3MBTL1NPSR1SMN1; SMN2
SCHEMBL18012728 0.85 MAPT (0.42) MAPTCES2CES1SMN1; SMN2CDK5
SCHEMBL18012726 0.82 MAPT (0.44) MAPTTHRBL3MBTL1NPSR1SMN1; SMN2
SCHEMBL18012834 0.81 RAB9A (0.39) THRBL3MBTL1PKMNPC1RAB9A
SCHEMBL18012704 0.81 SMN1; SMN2 (0.38) MAPTSMN1; SMN2CDK5CDK5R1PKM
SCHEMBL18012785 0.81 PPARG (0.36) MAPTPKM
SCHEMBL18012797 0.80 KMT2A (0.36) MAPTL3MBTL1CES2CES1SMN1; SMN2
SCHEMBL18012713 0.79 CDK5 (0.34) MAPTCES2CES1SMN1; SMN2CDK5

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-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
Send feedback