SCHEMBL8993495

SCHEMBL8993495

OCc1cccnc1C1=CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RUNX1 Q01196 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F2RL1 P55085 1/20 0.35
PPARA Q07869 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8993439 0.84 PIM1 (0.37) PIM1F2RL1PPARAJAK2JAK1
SCHEMBL30832971 0.76 KDM4E (0.48) L3MBTL1RUNX1KDM4ENPC1LMNA
SCHEMBL7160604 0.76 KDM4E (0.48) L3MBTL1RUNX1KDM4ENPC1LMNA
SCHEMBL8993493 0.75 ALDH1A1 (0.46) PIM1L3MBTL1KDM4EF2RL1PPARA
SCHEMBL5387804 0.75 PIM1 (0.39) PIM1F2RL1PPARAJAK2JAK1
SCHEMBL13450565 0.75 CYP2A6 (0.43) PIM1F2RL1PPARAJAK2JAK1
SCHEMBL13439540 0.71 F2RL1 (0.40) PIM1F2RL1PPARAJAK2JAK1
SCHEMBL5383451 0.71 TRIM24 (0.43) PIM1L3MBTL1KDM4ENPC1LMNA
SCHEMBL7036968 0.70 KDM4E (0.48) L3MBTL1KDM4ENPC1LMNAGAA
SCHEMBL30098846 0.70 KDM4E (0.48) L3MBTL1KDM4ENPC1LMNAGAA

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
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed