SCHEMBL29956388

SCHEMBL29956388

CCOc1ccc(B(O)O)c(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.42
PDK2 Q15119 2/20 0.40
NQO1 P15559 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
LTA4H P09960 1/20 0.35
CCR6 P51684 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL31697241 0.88 L3MBTL1 (0.44) L3MBTL1KDM4ENQO1LMNAHRH2
SCHEMBL22208481 0.88 L3MBTL1 (0.44) L3MBTL1KDM4ENQO1LMNAHRH2
SCHEMBL262886 0.88 L3MBTL1 (0.44) L3MBTL1KDM4EPDK2NQO1MAPT
SCHEMBL3139123 0.85 GPR3 (0.42) L3MBTL1MAPTLMNAALDH1A1NPC1
SCHEMBL3793494 0.83 KDM4E (0.53) KDM4ENQO1MAPTALDH1A1LTA4H
SCHEMBL29952558 0.83 KDM4E (0.53) KDM4ENQO1MAPTALDH1A1LTA4H
SCHEMBL17157371 0.82 CA1 (0.42) MAPTCYP1A1CYP1B1ALDH1A1NPC1
SCHEMBL29953466 0.82 CA1 (0.42) MAPTCYP1A1CYP1B1ALDH1A1NPC1
SCHEMBL15476589 0.81 LIPE (0.54) PDK2LMNA
SCHEMBL8940652 0.81 L3MBTL1 (0.47) L3MBTL1KDM4EPDK2NQO1MAPT

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