SCHEMBL9871396

SCHEMBL9871396

CCOC(=O)CCC(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
LMNA P02545 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 5/20 0.50
GAA P10253 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5692340 0.86 MAPT (0.66) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL5692343 0.86 MAPT (0.66) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL10347130 0.85 MAPT (0.55) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL9870605 0.81 KMT2A (0.46) MAPTLMNAKDM4EALDH1A1L3MBTL1
SCHEMBL9871987 0.81 ALDH1A1 (0.47) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL19788211 0.80 KCNJ1 (0.48) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL9872180 0.80 KDM4E (0.52) LMNAKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1206362 0.80 CYP4F2 (0.47) LMNAKDM4EALDH1A1L3MBTL1POLB
SCHEMBL9082982 0.80 CCKBR (0.44) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL27490205 0.80 MAPT (0.47) MAPTLMNAKDM4EALDH1A1GAA

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