SCHEMBL18012732

SCHEMBL18012732

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ CDK5R1 Q15078 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ PDK2 Q15119 8/20 0.38
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ TNF P01375 1/20 0.35
▸ KLF5 Q13887 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RBBP9 O75884 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
SCHEMBL18012704 0.91 SMN1; SMN2 (0.38) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012745 0.90 PDK2 (0.38) PKMPDK2
SCHEMBL18012737 0.90 PDK2 (0.38) PKMPDK2
SCHEMBL18012707 0.88 PDK2 (0.36) PDK2
SCHEMBL28162990 0.84 KMT2A (0.42) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012727 0.83 MAPT (0.47) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012801 0.83 SMN1; SMN2 (0.40) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012703 0.82 PDK2 (0.39) PKMPDK2NPC1RAB9AALDH1A1
SCHEMBL18012710 0.82 MAPT (0.53) SMN1; SMN2CDK5CDK5R1MAPTPKM
SCHEMBL18012699 0.81 PDK2 (0.36) PKMPDK2

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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