SCHEMBL18012704

SCHEMBL18012704

CCC1(CC)c2ccccc2-c2ccc(/C(CC/C(C)=N/OC(=O)c3ccccc3)=N/OC(=O)c3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CDK5 Q00535 2/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ PDK2 Q15119 6/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ APEX1 P27695 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ KLF5 Q13887 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ PPARG P37231 3/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL18012732 0.91 SMN1; SMN2 (0.38) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012699 0.91 PDK2 (0.36) PKMPDK2APEX1PPARGPPARA
SCHEMBL28162990 0.83 KMT2A (0.42) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012698 0.83 PDK2 (0.39) PKMPDK2NPC1RAB9AALDH1A1
SCHEMBL18012727 0.82 MAPT (0.47) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012801 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012710 0.81 MAPT (0.53) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012725 0.81 MAPT (0.42) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012737 0.81 PDK2 (0.38) PKMPDK2APEX1
SCHEMBL18012745 0.81 PDK2 (0.38) PKMPDK2APEX1

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
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