SCHEMBL7364453

SCHEMBL7364453

CCOc1cc(OCC)cc(-c2ccc(C(C)=O)c(=O)[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS2 P35354 2/20 0.41
MAPT P10636 5/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OXTR P30559 2/20 0.39
MDM2 Q00987 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
SCHEMBL7363438 0.78 RXRA (0.43) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL7371784 0.75 KDM4E (0.60) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL9754413 0.71 PTGER3 (0.56) KDM4EGAAALDH1A1SMN1; SMN2RXFP1
SCHEMBL9700651 0.69 MAPT (0.35) KDM4EGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL2281556 0.67 KDM4E (0.75) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL12299467 0.66 KDM4E (0.58) KDM4EGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL429049 0.66 MAOB (0.67) KDM4EALDH1A1CYP3A4
SCHEMBL9701615 0.66 KMT2A (0.59) KDM4EALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL23022212 0.65 KDM4E (0.57) KDM4EGAANPC1POLBMEN1
SCHEMBL14356128 0.65 MAOB (0.66) KDM4EMAPTLMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613467-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1994-09-07 EP disclosed
WO-1993010093-A1 2-PYRIDINOL DERIVATIVES AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-05-27 WO disclosed