SCHEMBL7717007

SCHEMBL7717007

CCCCCCCCCCCCC(CO)(CCCCCCCCCCCC)NCCO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NAAA Q02083 1/20 0.36
GGPS1 O95749 6/20 0.35
FDPS P14324 8/20 0.34
CES2 O00748 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
SCHEMBL115537 0.88 LMNA (0.41) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL515592 0.88 LMNA (0.41) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL474330 0.86 SMN1; SMN2 (0.39) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL8499702 0.86 EPHX1 (0.39) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL8497312 0.86 EPHX1 (0.39) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL8500458 0.86 EPHX1 (0.39) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL8368880 0.83 ALDH1A1 (0.46) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL6677358 0.83 LMNA (0.37) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL8499691 0.79 LMNA (0.39) LMNAKMT2AALDH1A1HSD17B10MEN1
SCHEMBL12858918 0.79 EPHX1 (0.44) LMNAKMT2AALDH1A1HSD17B10MEN1

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
EP-1172142-A1 MCM-41 TYPE MICROPOROUS MATERIALS CONTAINING TITANIUM AND THEIR UTILIZATION AS CATALYSTS IN ALPHA-PINENE OXIDATION CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2002-01-16 EP disclosed