SCHEMBL9872180

SCHEMBL9872180

CCOC(=O)CCC(C)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
CYP1A2 P05177 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
PPID Q08752 2/20 0.43
PPIB P23284 1/20 0.43
PPIA P62937 1/20 0.43
PPIG Q13427 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39

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
SCHEMBL9870605 0.86 KMT2A (0.46) KDM4EALDH1A1CYP1A2LMNACYP3A4
SCHEMBL9082982 0.84 CCKBR (0.44) ALDH1A1HTTCYP1A2LMNACYP3A4
SCHEMBL1206362 0.84 CYP4F2 (0.47) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL5670458 0.84 ALDH1A1 (0.62) KDM4EALDH1A1HTTCYP1A2LMNA
SCHEMBL29069352 0.84 ALDH1A1 (0.52) KDM4EALDH1A1CYP3A4KMT2AMEN1
SCHEMBL1349171 0.84 GRIA4 (0.41) KDM4EALDH1A1HTTLMNAKMT2A
SCHEMBL5691331 0.84 ALDH1A1 (0.62) KDM4EALDH1A1HTTCYP1A2LMNA
SCHEMBL9871396 0.80 MAPT (0.56) KDM4EALDH1A1LMNAKMT2ATDP1
SCHEMBL6238563 0.79 PPID (0.48) KDM4EALDH1A1HTTCYP1A2LMNA
SCHEMBL16245592 0.79 LMNA (0.45) KDM4EALDH1A1HTTCYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008285-A Antiarthritic agent with low gastric irritability side effect HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-04-16 US disclosed
EP-0159684-B1 (6,11-DIHYDRO-11-OXODIBENZ(B,E)OXEPINYL)PENTANOIC ACIDS AND DERIVATIVES, A PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1989-09-27 EP disclosed
US-4560701-A ANTIINFLAMMATORY, ANALGESIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-24 US disclosed
EP-0159684-A2 (6,11-Dihydro-11-oxodibenz(b,e)oxepinyl)pentanoic acids and derivatives, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-10-30 EP disclosed
EP-0118867-A2 Substituted 4,10-dihydro-10-oxothieno benzoxepins, a method of preparing the same and intermediate thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-09-19 EP disclosed