SCHEMBL28549484

SCHEMBL28549484

CC(C)=CCC/C(C)=C\C(O)=S

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
ATM Q13315 1/20 0.63
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 2/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
UGT1A1 P22309 1/20 0.50
SQLE Q14534 5/20 0.48
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 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
SCHEMBL28556910 0.96 KMT2A (0.64) KDM4EATMKMT2APOLBMEN1
SCHEMBL794673 0.77 KDM4E (1.00) KDM4EATMKMT2APOLBMEN1
SCHEMBL5362041 0.77 KMT2A (0.70) KDM4EATMKMT2AMEN1CYP3A4
SCHEMBL358253 0.77 KDM4E (1.00) KDM4EATMKMT2APOLBMEN1
SCHEMBL13176471 0.77 KDM4E (0.63) KDM4EATMKMT2APOLBMEN1
SCHEMBL438467 0.77 KMT2A (0.70) KDM4EATMKMT2AMEN1CYP3A4
SCHEMBL29526077 0.77 KDM4E (1.00) KDM4EATMKMT2APOLBMEN1
SCHEMBL310619 0.77 KDM4E (1.00) KDM4EATMKMT2APOLBMEN1
Geraniol SCHEMBL28583697 0.76 KMT2A (0.83) KDM4EATMKMT2AMEN1CYP3A4
Squalene SCHEMBL2515732 0.75 KMT2A (0.94) KDM4EATMKMT2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115074172-B Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2023-06-09 CN disclosed
CN-112552327-B Silole derivative, preparation method and application thereof, and photoluminescent lubricating grease 中国石油化工股份有限公司 2023-03-28 CN disclosed
CN-115074172-A Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-09-20 CN disclosed
CN-112552327-A Silole derivative, preparation method and application thereof, and photoluminescent lubricating grease 中国石油化工股份有限公司 2021-03-26 CN disclosed