SCHEMBL8733640

SCHEMBL8733640

COC(=O)c1ccc(C=CCCOCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL8450255 0.82 HPGD (0.49) CA1CA2RAB9AMAPTHTT
SCHEMBL16057177 0.81 TP53 (0.42) MAPTL3MBTL1TSHR
SCHEMBL16057178 0.81 TP53 (0.42) MAPTL3MBTL1TSHR
SCHEMBL17556990 0.81 TP53 (0.42) MAPTL3MBTL1TSHR
SCHEMBL29161461 0.79 MAPT (0.67) MAOBCA1CA2RAB9AMAPT
SCHEMBL9233919 0.79 TSHR (0.62) CA1CA2RAB9AMAPTKMT2A
SCHEMBL20963530 0.76 LOXL2 (0.51) CA1CA2RAB9AMAPTKMT2A
SCHEMBL13131601 0.76 ALDH1A1 (0.53) MAOBCA1CA2RAB9AMAPT
SCHEMBL31051141 0.76 ALDH1A1 (0.53) MAOBCA1CA2RAB9AMAPT
SCHEMBL20921263 0.76 RAB9A (0.58) MAOBCA1CA2RAB9AHTT

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-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 WO disclosed