SCHEMBL9879360

SCHEMBL9879360

C=CCCCCCC(=O)Oc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPT P10636 3/20 0.43
ABCC4 O15439 1/20 0.43
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
SLC22A2 O15244 1/20 0.40
TMPRSS2 O15393 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
F12 P00748 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL28835276 1.00 KMT2A (0.51) KMT2AALDH1A1LMNAPRSS1PRSS2
SCHEMBL28724455 0.87 KMT2A (0.59) KMT2AALDH1A1LMNAPRSS1PRSS2
SCHEMBL28723326 0.87 KMT2A (0.59) KMT2AALDH1A1LMNAPRSS1PRSS2
SCHEMBL13292705 0.87 KMT2A (0.59) KMT2AALDH1A1LMNAPRSS1PRSS2
SCHEMBL6868914 0.87 KMT2A (0.59) KMT2AALDH1A1LMNAPRSS1PRSS2
SCHEMBL23272065 0.87 KMT2A (0.59) KMT2AALDH1A1LMNAPRSS1PRSS2
SCHEMBL27142282 0.87 KMT2A (0.59) KMT2AALDH1A1LMNAPRSS1PRSS2
SCHEMBL6866899 0.85 KMT2A (0.61) KMT2AALDH1A1LMNAPRSS1PRSS2
SCHEMBL28158388 0.85 LMNA (0.54) KMT2AALDH1A1LMNAPRSS1PRSS2
SCHEMBL7587172 0.84 PRSS1 (0.56) KMT2AALDH1A1LMNAPRSS1PRSS2

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 3 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
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