SCHEMBL4662003

SCHEMBL4662003

O=CC(c1ccco1)c1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
GPR84 Q9NQS5 3/20 0.47
FFAR1 O14842 2/20 0.47
PIM1 P11309 2/20 0.43
CYP2A6 P11509 1/20 0.42
IMPDH2 P12268 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MAPT P10636 3/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL6668005 0.84 GPR84 (0.59) MEN1KMT2AGPR84FFAR1CYP2A6
SCHEMBL29872149 0.80 MEN1 (0.57) MEN1KMT2AGPR84FFAR1PIM1
SCHEMBL21399551 0.80 MEN1 (0.57) MEN1KMT2AGPR84FFAR1PIM1
SCHEMBL1296387 0.78 GPR84 (0.53) MEN1KMT2AGPR84FFAR1CYP2A6
SCHEMBL11805598 0.74 GPR84 (0.55) MEN1KMT2AGPR84FFAR1CYP2A6
SCHEMBL13767828 0.71 GPR84 (0.61) MEN1KMT2AGPR84FFAR1CYP2A6
SCHEMBL7316265 0.71 GPR84 (0.51) MEN1KMT2AGPR84FFAR1CYP2A6
SCHEMBL1333393 0.71 GPR84 (0.51) MEN1KMT2AGPR84FFAR1CYP2A6
SCHEMBL29951612 0.71 GPR84 (0.61) MEN1KMT2AGPR84FFAR1CYP2A6
SCHEMBL1515734 0.69 CYP2C19 (0.46) MEN1KMT2AMAPTPKMALDH1A1

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
EP-2004179-A1 MEDICAMENT, COSMETIC OR FOOD PRODUCT COMPRISING AN INDOL COMPOUND, THE USE THEREOF AND THE METHOD OF ISOLATION THEREOF FROM SAUERKRAUT G.I.M.-GESELLSCHAFT FÜR INNOVATIVE MEDIZIN GMBH NFG OHG (AT) 2008-12-24 EP disclosed
WO-2007110241-A1 PLANT EXTRACTS, PLANT COMPONENTS AND THE USES THEREOF G.I.M.-GESELLSCHAFT FÜR INNOVATIVE MEDIZIN G.M.B.H. NFG OHG (AT) 2007-10-04 WO disclosed
WO-2007110243-A1 MEDICAMENT, COSMETIC OR FOOD PRODUCT COMPRISING AN INDOL COMPOUND, THE USE THEREOF AND THE METHOD OF ISOLATION THEREOF FROM SAUERKRAUT G.I.M.-GESELLSCHAFT FÜR INNOVATIVE MEDIZIN G.M.B.H. NFG OHG (AT) 2007-10-04 WO disclosed