SCHEMBL18012648

SCHEMBL18012648

CCC1(CC)c2cc(C(=O)/C(C)=N/OC(=O)C3CCCCC3)ccc2-c2c([N+](=O)[O-])cc(C(=O)/C(C)=N/OC(=O)C3CCCCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PPARG P37231 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
SCHEMBL18012629 0.92 ALDH1A1 (0.39) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL18012718 0.91 ALDH1A1 (0.40) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL18012763 0.90 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL18012778 0.89 ALDH1A1 (0.45) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL18012815 0.87 RAB9A (0.45) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL18012638 0.86 SMN1; SMN2 (0.34) ALDH1A1POLBRAB9ANPC1MAPT
SCHEMBL18012645 0.82 CES2 (0.39) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL18012643 0.80 HCAR3 (0.39) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL18012711 0.79 RAB9A (0.44) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL18012806 0.78 RAB9A (0.38) ALDH1A1POLBL3MBTL1RAB9ANPC1

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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