SCHEMBL7832243

SCHEMBL7832243

O=C(O)CCCCC=Cc1ccc2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.59
CYSLTR1 Q9Y271 5/20 0.59
LMNA P02545 6/20 0.56
KDM4E B2RXH2 5/20 0.56
LTB4R Q15722 1/20 0.53
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
TBXAS1 P24557 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL7832861 1.00 CYSLTR2 (0.59) CYSLTR2CYSLTR1LMNAKDM4ELTB4R
SCHEMBL7832237 1.00 CYSLTR2 (0.59) CYSLTR2CYSLTR1LMNAKDM4ELTB4R
SCHEMBL7820491 0.96 CYSLTR2 (0.60) CYSLTR2CYSLTR1LMNAKDM4ELTB4R
SCHEMBL7820483 0.96 CYSLTR2 (0.60) CYSLTR2CYSLTR1LMNAKDM4ELTB4R
SCHEMBL8650189 0.95 CYSLTR2 (0.55) CYSLTR2CYSLTR1LMNAKDM4ELTB4R
SCHEMBL8650191 0.95 CYSLTR2 (0.55) CYSLTR2CYSLTR1LMNAKDM4ELTB4R
SCHEMBL7832354 0.85 HDAC1 (0.64) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL7829154 0.85 HDAC1 (0.64) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL7832648 0.85 HDAC1 (0.64) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL7831718 0.82 CYSLTR2 (0.66) CYSLTR2CYSLTR1LMNAKDM4ELTB4R

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