SCHEMBL2039476

SCHEMBL2039476

O=[C]c1ccc(-c2ccc(OCc3ccccc3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.48
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
PKM P14618 1/20 0.44
HDAC1 Q13547 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
FFAR1 O14842 1/20 0.41
GSTP1 P09211 2/20 0.41
MAOB P27338 1/20 0.41
MAP4K4 O95819 1/20 0.40
CXCR2 P25025 1/20 0.40
JAK3 P52333 1/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7663760 0.88 PKM (0.45) LOXL2ACACBPKMFFAR1MAOB
SCHEMBL6030735 0.79 MAP4K4 (0.62) LOXL2ACACBACACAHDAC1MAP4K4
SCHEMBL23405939 0.76 LOXL2 (0.47) LOXL2PKMBRD4CREBBPFFAR1
SCHEMBL3399463 0.76 MAOB (0.67) FFAR1GSTP1MAOB
SCHEMBL1221481 0.75 MAOB (0.62) PKMFFAR1MAOBGABRG2GABRB3
SCHEMBL6030328 0.75 GABRA5 (0.53) ACACBACACAPKMHDAC1MAP4K4
SCHEMBL24156267 0.73 MEN1 (0.55) LOXL2ACACBACACAPKMBRD4
SCHEMBL27816530 0.73 PKM (0.49) LOXL2ACACBACACAPKMFFAR1
SCHEMBL31334070 0.72 GABRA5 (0.67) LOXL2BRD4CREBBPFFAR1MAOB
SCHEMBL23116037 0.72 LOXL2 (0.44) LOXL2ACACBACACAPKMHDAC1

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
WO-2011073376-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2011-06-23 WO claimed
EP-2513053-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) Euroscreen S.A. (BE) 2012-10-24 EP disclosed
WO-2011073376-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2011-06-23 WO disclosed