SCHEMBL18012637

SCHEMBL18012637

CCC(=O)c1ccc2c(c1)C(CC)(CC)c1cc(C(=O)CC)cc([N+](=O)[O-])c1-2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HCAR3 P49019 8/20 0.38
▸ PDK1 Q15118 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CASP6 P55212 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ AGTR1 P30556 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
SCHEMBL18012414 0.86 MAPT (0.41) ALDH1A1LMNAKMT2AMAPK1SMN1; SMN2
SCHEMBL18012418 0.82 SMN1; SMN2 (0.38) ALDH1A1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL18012643 0.81 HCAR3 (0.39) ALDH1A1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL18012627 0.80 PKM (0.34) ALDH1A1LMNAKMT2AMAPK1HTT
SCHEMBL18012426 0.80 SMN1; SMN2 (0.40) ALDH1A1LMNAKMT2ASMN1; SMN2HCAR3
SCHEMBL18012811 0.80 ATM (0.44) ALDH1A1KMT2AHTTSMN1; SMN2TSHR
SCHEMBL18012715 0.79 HCAR3 (0.37) ALDH1A1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL18012638 0.78 SMN1; SMN2 (0.34) ALDH1A1LMNAKMT2ASMN1; SMN2HCAR3
SCHEMBL18012714 0.77 SMN1; SMN2 (0.34) ALDH1A1LMNAKMT2AHTTSMN1; SMN2
SCHEMBL18012647 0.76 MAPT (0.42) ALDH1A1KMT2AHTTSMN1; SMN2MAPT

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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