SCHEMBL18012802

SCHEMBL18012802

CCC1(CC)c2ccccc2-c2ccc(C(=N\OC(=O)C3CCCCC3)/C(C)=N/OC(=O)C3CCCCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ RBBP9 O75884 1/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ LMNA P02545 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
SCHEMBL18012711 0.95 RAB9A (0.44) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012815 0.86 RAB9A (0.45) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012835 0.86 RAB9A (0.37) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL18012703 0.85 PDK2 (0.39) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012754 0.85 PDK2 (0.38) PDK2HTR7HTR2B
SCHEMBL18012698 0.84 PDK2 (0.39) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012791 0.84 RAB9A (0.46) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012736 0.83 PDK2 (0.38) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012718 0.83 ALDH1A1 (0.40) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL18012801 0.82 SMN1; SMN2 (0.40) PDK2RAB9ANPC1KMT2APKM

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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