SCHEMBL24376720

SCHEMBL24376720

CCOC(=O)C1=C(C(F)(F)F)OC(O)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
LMNA P02545 2/20 0.33
ADORA2B P29275 2/20 0.33
MLYCD O95822 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 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
SCHEMBL24376263 0.76 KDM4E (0.37) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL9225568 0.68 HDAC4 (0.38) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL5608026 0.65 KDM4E (0.59) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL30032961 0.64 MAPT (0.39) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL28051888 0.63 KDM4E (0.48) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL30032278 0.62 MAPT (0.40) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL11035853 0.62 KDM4E (0.61) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL9330315 0.62 KDM4E (0.43) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL9548196 0.61 KDM4E (0.72) KDM4EMAPTKMT2AMEN1ALOX15
SCHEMBL5078984 0.61 KDM4E (0.39) KDM4EMAPTKMT2AMEN1ALOX15

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
WO-2022087373-A1 METHODS OF MAKING NICOTINIC ACID DERIVATIVES VERTELLUS HOLDINGS LLC (US) 2022-04-28 WO disclosed