SCHEMBL9345540

SCHEMBL9345540

COC1=C(OC)C(=O)C(C2CC(C(=O)O)Oc3ccccc32)=C(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
POLB P06746 2/20 0.33
ADRA1A P35348 2/20 0.33
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.32
CYP19A1 P11511 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APEX1 P27695 2/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9348206 0.75 MEN1 (0.36) IDO1POLBPKMMEN1KMT2A
SCHEMBL27014130 0.68 SMN1; SMN2 (0.39) POLBMEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL6327386 0.68 SMN1; SMN2 (0.39) POLBMEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL27014131 0.68 SMN1; SMN2 (0.39) POLBMEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL24496706 0.68 SMN1; SMN2 (0.39) POLBMEN1KMT2ASMN1; SMN2EDNRA
SCHEMBL3530476 0.67 SIRT1 (0.41) MEN1KMT2ASMN1; SMN2HPGDCYP2C9
SCHEMBL7057869 0.66 PPARG (0.40) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27818783 0.65 SMN1; SMN2 (0.36) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9818841 0.61 POLB (0.42) POLBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9818844 0.61 POLB (0.42) POLBL3MBTL1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US disclosed
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed
US-5179092-A Cognition activators SUNTORY LIMITED (JP) 1993-01-12 US disclosed
US-5057514-A Compounds effective as cerebral schemia treating agents SUNTORY LIMITED (JP) 1991-10-15 US disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed