SCHEMBL29952907

SCHEMBL29952907

CC(C)Oc1ccc(OC(F)(F)F)cc1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
TACR1 P25103 1/20 0.38
PDE2A O00408 2/20 0.37
GPR3 P46089 2/20 0.37
ALDH1A1 P00352 1/20 0.35
PDK2 Q15119 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
ABL1 P00519 1/20 0.34
CXCR2 P25025 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PTPN5 P54829 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
PPARD Q03181 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
SCHEMBL29956393 0.82 TUBB4A (0.46) GPR3FFAR4ABL1
SCHEMBL320667 0.82 TUBB4A (0.46) GPR3FFAR4ABL1
SCHEMBL16955239 0.79 PPARD (0.41) GRM7KCNK3KCNK9TACR1PDE2A
SCHEMBL29951073 0.78 L3MBTL1 (0.44) GRM7TACR1PDE2AGPR3FFAR4
SCHEMBL12847220 0.78 MGLL (0.40) PDE2AALDH1A1RXRARXRBRXRG
SCHEMBL29952234 0.78 MGLL (0.40) PDE2AALDH1A1RXRARXRBRXRG
SCHEMBL7691095 0.78 APP (0.43) GRM7KCNK3KCNK9TACR1PDE2A
SCHEMBL8160442 0.78 GRM7 (0.40) GRM7KCNK3KCNK9TACR1PDE2A
SCHEMBL16955235 0.78 TACR1 (0.39) GRM7KCNK3KCNK9TACR1PDE2A
SCHEMBL4939627 0.77 ALDH1A3 (0.41) GRM7KCNK3KCNK9TACR1PDE2A

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