SCHEMBL4340762

SCHEMBL4340762

O=C(O)Oc1ccc2c(c1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
MAOB P27338 6/20 0.51
MAOA P21397 4/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
PKM P14618 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.49
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
CNR2 P34972 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL3876644 0.89 KMT2A (0.62) TSHRKMT2ANPC1PKMRAB9A
SCHEMBL2900297 0.89 LMNA (0.60) TSHRMAOBKMT2ARAB9AMEN1
SCHEMBL14959931 0.84 KDM4E (0.61) TSHRKMT2ANPC1PKMRAB9A
SCHEMBL14959934 0.84 KDM4E (0.61) TSHRKMT2ANPC1PKMRAB9A
SCHEMBL27854530 0.84 TSHR (0.56) TSHRMAOBMAOAKMT2ANPC1
SCHEMBL9202118 0.82 LMNA (0.45) TSHRKMT2ANPC1PKMRAB9A
SCHEMBL27909784 0.81 TRPV1 (0.54) TSHRMAOBMAOAKMT2ANPC1
SCHEMBL3261357 0.81 CA2 (0.50) TSHRMAOBMAOANPC1PKM
SCHEMBL15091861 0.80 KMT2A (0.51) TSHRKMT2ANPC1PKMRAB9A
SCHEMBL1855445 0.79 LMNA (0.62) TSHRKMT2ANPC1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727799-B1 NOVEL ALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2009-01-07 EP disclosed
EP-1727812-B1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2008-12-31 EP disclosed
EP-1727798-B1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP disclosed
EP-1727798-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP disclosed
WO-2005087726-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
EP-0350846-B1 Condensed heterocyclic compounds and their use in therapy HOFFMANN LA ROCHE (CH) 1995-10-11 EP disclosed
EP-0350846-A2 Condensed heterocyclic compounds and their use in therapy F. HOFFMANN-LA ROCHE AG (CH) 1990-01-17 EP disclosed
EP-0037471-A1 1-Aroyl-2-phenylamino-2-imidazolines, their preparation and their pharmaceutical compositions BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed