SCHEMBL25753059

SCHEMBL25753059

OCCOCCOCc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GBA1 P04062 2/20 0.46
UGCG Q16739 2/20 0.46
GBA2 Q9HCG7 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
REN P00797 3/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL25753060 1.00 KDM4E (0.49) KDM4EMAPK1TDP1GBA1UGCG
SCHEMBL12308438 1.00 KDM4E (0.49) KDM4EMAPK1TDP1GBA1UGCG
SCHEMBL4223879 0.96 GBA1 (0.48) KDM4EMAPK1TDP1GBA1UGCG
SCHEMBL4590036 0.84 CYP1A2 (0.47) KDM4EMAPK1TDP1CYP1A2CYP2A6
SCHEMBL16594734 0.83 CYP1A2 (0.53) KDM4EMAPK1TDP1GBA1UGCG
SCHEMBL16594921 0.83 CYP1A2 (0.53) KDM4EMAPK1TDP1GBA1UGCG
SCHEMBL25753182 0.83 CYP1A2 (0.53) KDM4EMAPK1TDP1GBA1UGCG
SCHEMBL22261686 0.81 KDM4E (0.56) KDM4EMAPK1TDP1CYP1A2CYP2A6
SCHEMBL21184479 0.81 KDM4E (0.56) KDM4EMAPK1TDP1CYP1A2CYP2A6
SCHEMBL16594367 0.81 KDM4E (0.56) KDM4EMAPK1TDP1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193067-A1 METAL OXIDE COMPOSITION, LIGHT-EMITTING DEVICE USING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed