SCHEMBL7679652

SCHEMBL7679652

O=C(/C=C/C=C/c1ccc(Cl)cc1)N1CCCN(C(=O)/C=C/C=C/c2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALOX5 P09917 3/20 0.58
MAOB P27338 2/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
TP53 P04637 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GPR183 P32249 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54

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
SCHEMBL29738483 0.94 ALOX5 (0.66) GAANPC1RAB9AL3MBTL1ALOX5
SCHEMBL6786005 0.85 ALDH1A1 (0.80) NPC1RAB9AALOX5MAOBALDH1A1
SCHEMBL6785637 0.84 MEN1 (0.79) NPC1RAB9AL3MBTL1ALOX5MAOB
SCHEMBL3122595 0.83 NPC1 (0.72) GAANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL3122606 0.83 NPC1 (0.72) GAANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL5573937 0.82 CCR2 (0.58) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL5573940 0.82 CCR2 (0.58) GAANPC1RAB9AL3MBTL1MAPT
SCHEMBL6785345 0.81 ALDH1A1 (0.72) GAANPC1RAB9AALOX5MAOB
SCHEMBL6792237 0.81 GPR183 (0.64) NPC1RAB9AALOX5MAOBALDH1A1
SCHEMBL6787409 0.81 ALDH1A1 (0.57) NPC1RAB9AALOX5MAOBALDH1A1

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
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 EP disclosed