SCHEMBL7829044

SCHEMBL7829044

CC(=O)ONC(=O)CCCCCc1nc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
HPGD P15428 4/20 0.57
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALOX15 P16050 1/20 0.56
ALDH1A1 P00352 3/20 0.55
PKM P14618 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.53
KLF5 Q13887 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL7833276 0.89 LMNA (0.57) LMNAHPGDPOLBATMHTT
SCHEMBL7829367 0.86 LMNA (0.60) LMNAHPGDPOLBATMHTT
SCHEMBL7829961 0.86 LMNA (0.60) LMNAHPGDPOLBATMHTT
SCHEMBL7820871 0.86 LMNA (0.49) LMNAHPGDPOLBATMHTT
SCHEMBL8234057 0.84 MAPT (0.73) LMNAPOLBHTTSMN1; SMN2ALDH1A1
SCHEMBL25062713 0.83 LMNA (0.67) LMNAHPGDPOLBATMHTT
SCHEMBL7829947 0.83 LMNA (0.67) LMNAHPGDPOLBATMHTT
SCHEMBL7829459 0.83 LMNA (0.67) LMNAHPGDPOLBATMHTT
SCHEMBL12046948 0.81 LMNA (0.68) LMNAHPGDPOLBATMHTT
SCHEMBL4700801 0.81 HTT (0.69) LMNAHPGDPOLBATMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP disclosed