SCHEMBL29954753

SCHEMBL29954753

OB(O)c1c(OC(F)(F)F)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HPRT1 P00492 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
NCEH1 Q6PIU2 2/20 0.33

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
SCHEMBL2560798 0.80 SLC2A1 (0.48) MAPTALDH1A1HSD17B10TDP1KDM4E
SCHEMBL29517404 0.77 MAPT (0.58) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL1004416 0.77 MAPT (0.58) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL29954934 0.77 MAPT (0.38) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL4076381 0.74 NCEH1 (0.49) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL26375264 0.74 NCEH1 (0.49) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL5610532 0.74 MAPT (0.40) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL29953029 0.74 HSD17B10 (0.45) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1642006 0.73 ALOX5 (0.50) MAPTALDH1A1HSD17B10TSHRTDP1
SCHEMBL21223556 0.73 MAPT (0.54) MAPTALDH1A1HSD17B10CYP2A6TSHR

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed