SCHEMBL29951073

SCHEMBL29951073

CCOc1ccc(OC(F)(F)F)cc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
S1PR1 P21453 1/20 0.42
TACR1 P25103 1/20 0.39
GRM7 Q14831 1/20 0.39
KCNB1 Q14721 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
TSHR P16473 1/20 0.37
PDE2A O00408 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPR3 P46089 1/20 0.37
BRD4 O60885 1/20 0.36

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) L3MBTL1S1PR1TACR1GRM7KCNB1
SCHEMBL22208481 0.88 L3MBTL1 (0.44) L3MBTL1S1PR1TACR1GRM7KCNB1
SCHEMBL262886 0.88 L3MBTL1 (0.44) L3MBTL1LMNAPOLBMAPTATM
SCHEMBL3786075 0.83 KDM4E (0.49) POLBMAPTTSHR
SCHEMBL320667 0.82 TUBB4A (0.46) GPR3FFAR4
SCHEMBL29956393 0.82 TUBB4A (0.46) GPR3FFAR4
SCHEMBL29952042 0.80 TUBB4A (0.47) LMNAMAPTATMTSHR
SCHEMBL15862688 0.80 TUBB4A (0.47) LMNAMAPTATMTSHR
SCHEMBL16953616 0.79 PPARD (0.47) L3MBTL1S1PR1TACR1LMNAPOLB
SCHEMBL29956388 0.78 L3MBTL1 (0.44) L3MBTL1LMNAPOLBMAPTATM

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