SCHEMBL10458499

SCHEMBL10458499

COCCN(CCOC)C1(C(=O)c2ccc(OC)cc2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
PKM P14618 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL10458800 0.85 SLC6A5 (0.46) MEN1KMT2ATP53CA1CA2
SCHEMBL10458558 0.81 CES2 (0.48) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL10458131 0.80 MEN1 (0.46) MEN1KMT2ATP53CA1CA2
SCHEMBL14040096 0.71 CES2 (0.52) MEN1KMT2ACA1CA2POLB
SCHEMBL28669997 0.71 CES2 (0.52) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL4611297 0.70 GSK3B (0.51) MEN1KMT2ATP53CA1CA2
SCHEMBL14040099 0.70 CES2 (0.50) MEN1KMT2ATP53CA1CA2
SCHEMBL10384839 0.70 CES2 (0.50) MEN1KMT2ATP53CA1CA2
SCHEMBL3315382 0.70 CES2 (0.46) MEN1KMT2ATP53CA1CA2
SCHEMBL9681281 0.67 CA1 (0.47) MEN1KMT2ACA1CA2ALDH1A1

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
US-4900823-A PHOTOINITIATORS FOR PHOTOCURING CIBA-GEIGY CORPORATION (US) 1990-02-13 US disclosed
US-4739052-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1988-04-19 US disclosed
US-4559371-A FOR PRINTING INKS AND PAINTS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed