SCHEMBL29956232

SCHEMBL29956232

OB(O)c1cc(C(F)(F)F)ccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ATM Q13315 1/20 0.41
FFAR1 O14842 2/20 0.40
MGLL Q99685 2/20 0.40
CYP2C9 P11712 2/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN8A Q9UQD0 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
PDE2A O00408 2/20 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
SCHEMBL12847220 0.87 MGLL (0.40) NPSR1MGLLCYP2C9SCN8ASCN10A
SCHEMBL29952234 0.87 MGLL (0.40) NPSR1MGLLCYP2C9SCN8ASCN10A
SCHEMBL319585 0.81 ENPP2 (0.47) MEN1MAPTKMT2ANPSR1MGLL
SCHEMBL29588618 0.81 ENPP2 (0.47) MEN1MAPTKMT2ANPSR1MGLL
SCHEMBL2101703 0.80 PTGDR2 (0.53) KMT2AFFAR1MGLLCYP2C19KDM4E
SCHEMBL16959475 0.79 BACE1 (0.47) MEN1LMNAMAPTHTTKMT2A
SCHEMBL15010805 0.77 HTT (0.36) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL29956290 0.77 ALDH1A1 (0.49) MEN1LMNAMAPTHTTKMT2A
SCHEMBL29952656 0.77 HTT (0.36) MEN1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL29950647 0.77 CYP1A2 (0.55) MEN1LMNAMAPTKMT2ANPSR1

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