SCHEMBL6993038

SCHEMBL6993038

O=C(C=CC(=O)c1ccco1)c1ccco1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MAOB P27338 5/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
MAOA P21397 2/20 0.62
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
LMNA P02545 1/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
ALPL P05186 1/20 0.62
ALPI P09923 1/20 0.62
ALPG P10696 1/20 0.62
GPR52 Q9Y2T5 1/20 0.62
MEN1 O00255 1/20 0.62
PSMD14 O00487 1/20 0.62
CRHBP P24387 1/20 0.62
KMT2A Q03164 1/20 0.62
CRHR2 Q13324 1/20 0.62
HTT P42858 2/20 0.57

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
SCHEMBL6993037 1.00 MAPT (0.62) MAPTMAOBRAB9ANPC1MAOA
SCHEMBL10523362 0.92 MAPT (0.60) MAPTMAOBRAB9ANPC1MAOA
SCHEMBL11331924 0.92 MAPT (0.60) MAPTMAOBRAB9ANPC1MAOA
SCHEMBL11606021 0.89 MAPT (0.57) MAPTMAOBRAB9ANPC1MAOA
SCHEMBL10352737 0.87 MAPT (0.56) MAPTMAOBRAB9ANPC1MAOA
SCHEMBL10352735 0.87 MAPT (0.56) MAPTMAOBRAB9ANPC1MAOA
SCHEMBL8752642 0.86 MAPT (0.63) MAPTMAOBRAB9ANPC1MAOA
SCHEMBL3038740 0.85 MAOB (0.58) MAPTMAOBRAB9ANPC1MAOA
SCHEMBL3038749 0.85 MAOB (0.58) MAPTMAOBRAB9ANPC1MAOA
SCHEMBL10705355 0.84 MAPT (0.61) MAPTMAOBRAB9ANPC1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed