SCHEMBL5209759

SCHEMBL5209759

Cc1ccc(-c2ccc3c(c2)C(=O)CCCO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PABPC1 P11940 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B1 P14061 1/20 0.38
NOTUM Q6P988 1/20 0.37
CCR5 P51681 3/20 0.36
MAOA P21397 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 2/20 0.36
MET P08581 2/20 0.36

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
SCHEMBL14552635 0.91 MAOB (0.49) MAOBKDM4EHTTATMKMT2A
SCHEMBL8174415 0.78 MAOB (0.59) MAOBRAB9ASMN1; SMN2ALDH1A1MAOA
SCHEMBL29176409 0.78 CTNNB1 (0.50) HTTATMRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11065204 0.78 MAOB (0.51) MAOBKDM4EHTTATMKMT2A
SCHEMBL16574214 0.78 NOTUM (0.50) KDM4ERAB9ASMN1; SMN2ALDH1A1NOTUM
SCHEMBL68886 0.77 RAB9A (0.51) MAOBKDM4EHTTATMKMT2A
SCHEMBL8795432 0.76 GRM5 (0.50) MAOBKDM4EHTTATMKMT2A
SCHEMBL14552517 0.75 FABP6 (0.60) ALDH1A1METBRD4
SCHEMBL22681770 0.74 KCNH2 (0.48) KDM4EKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL7962215 0.74 MAOB (0.40) MAOBKDM4EHTTATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed