SCHEMBL18012698

SCHEMBL18012698

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ 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
SCHEMBL18012703 0.92 PDK2 (0.39) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012699 0.85 PDK2 (0.36) PDK2PKM
SCHEMBL18012802 0.84 PDK2 (0.41) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012704 0.83 SMN1; SMN2 (0.38) PDK2RAB9ANPC1KMT2APKM
SCHEMBL18012791 0.81 RAB9A (0.46) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012736 0.81 PDK2 (0.38) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012834 0.81 RAB9A (0.39) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL18012815 0.80 RAB9A (0.45) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL18012711 0.79 RAB9A (0.44) PDK2RAB9ANPC1MEN1KMT2A
SCHEMBL17973367 0.77 RAB9A (0.46) RAB9ANPC1MEN1KMT2ACASP3

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