SCHEMBL18012791

SCHEMBL18012791

CCC1(CC)c2cc(/C(C)=N/OC(=O)C3CCCCC3)ccc2-c2ccc(/C(C)=N/OC(=O)C3CCCCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RBBP9 O75884 1/20 0.44
▸ PDE4B Q07343 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ PDK2 Q15119 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ PKM P14618 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MIF P14174 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
SCHEMBL18012815 0.89 RAB9A (0.45) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18012711 0.88 RAB9A (0.44) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18012763 0.87 ALDH1A1 (0.42) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18012802 0.84 PDK2 (0.41) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18012703 0.82 PDK2 (0.39) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18012642 0.81 RAB9A (0.39) RAB9AMEN1KMT2APDE4BPDE4D
SCHEMBL18012698 0.81 PDK2 (0.39) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18012736 0.81 PDK2 (0.38) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18012834 0.80 RAB9A (0.39) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL18012806 0.80 RAB9A (0.38) RAB9ANPC1CASP3SENP8SENP7

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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