SCHEMBL7831723

SCHEMBL7831723

CCOC(=O)CCCCC=Cc1ccc2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 6/20 0.66
CYSLTR1 Q9Y271 6/20 0.66
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PRNP P04156 1/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.46
TOP2A P11388 1/20 0.46

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
SCHEMBL7831718 1.00 CYSLTR2 (0.66) CYSLTR2CYSLTR1MEN1KMT2APRNP
SCHEMBL7832861 0.82 CYSLTR2 (0.59) CYSLTR2CYSLTR1MEN1KMT2APRNP
SCHEMBL7832237 0.82 CYSLTR2 (0.59) CYSLTR2CYSLTR1MEN1KMT2APRNP
SCHEMBL7832243 0.82 CYSLTR2 (0.59) CYSLTR2CYSLTR1MEN1KMT2APRNP
SCHEMBL13783858 0.81 HDAC1 (0.66) CYSLTR2CYSLTR1ALDH1A1CYP3A4ALOX15
SCHEMBL711192 0.79 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL711191 0.79 CYSLTR2 (1.00) CYSLTR2CYSLTR1
SCHEMBL22501441 0.79 KDM4E (0.50) CYSLTR2CYSLTR1MEN1KMT2AKDM4E
SCHEMBL7832354 0.79 HDAC1 (0.64) KDM4ELMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL7829154 0.79 HDAC1 (0.64) KDM4ELMNAMAPTSMN1; SMN2CYP1A2

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