SCHEMBL4415892

SCHEMBL4415892

CCCC(=O)c1ccc(Sc2ccc(C(=O)c3ccc(Sc4ccc(/C(CCC)=N/OC(C)=O)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 5/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STS P08842 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.34
THRB P10828 2/20 0.33
THRA P10827 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP1 P03956 1/20 0.33
HTR7 P34969 1/20 0.33
MAPT P10636 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL4415896 1.00 HSD17B3 (0.41) HSD17B3PKMHPGDL3MBTL1SMN1; SMN2
SCHEMBL7199687 0.86 PKM (0.43) HSD17B3PKMHPGDL3MBTL1SMN1; SMN2
SCHEMBL9110697 0.86 HPGD (0.50) PKMHPGDL3MBTL1SMN1; SMN2LMNA
SCHEMBL7199685 0.86 PKM (0.43) HSD17B3PKMHPGDL3MBTL1SMN1; SMN2
SCHEMBL7065540 0.84 L3MBTL1 (0.42) HSD17B3HPGDL3MBTL1SMN1; SMN2STS
SCHEMBL4419356 0.82 HSD17B3 (0.58) HSD17B3HPGDL3MBTL1SMN1; SMN2STS
SCHEMBL1476583 0.81 PKM (0.46) PKML3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL618280 0.81 PKM (0.46) PKML3MBTL1SMN1; SMN2LMNAALDH1A1
SCHEMBL13541031 0.81 CES2 (0.42) HPGDL3MBTL1ALDH1A1MAPT
SCHEMBL16581264 0.78 DYRK1A (0.41) KDM4EHDAC3HDAC4HDAC1HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395615-B1 OXIME ESTER PHOTOINITIATORS HAVING A COMBINED STRUCTURE BASF SE (DE) 2009-10-21 EP disclosed
US-7189489-B2 Oxime ester photoiniators having a combined structure CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-03-13 US disclosed
US-20040170924-A1 Oxime ester photoiniators having a combined structure CIBA CORPORATION 2004-09-02 US disclosed