SCHEMBL29952625

SCHEMBL29952625

CCCOc1cccc(F)c1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
PDE4D Q08499 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MCHR1 Q99705 1/20 0.39
CYP2A6 P11509 1/20 0.38
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
KDM4E B2RXH2 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HTR2A P28223 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
PTPN1 P18031 1/20 0.36
CYP2D6 P10635 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FAAH O00519 1/20 0.35
CYP2C9 P11712 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL3316374 1.00 L3MBTL1 (0.44) L3MBTL1PDE4DTDP1MCHR1CYP2A6
SCHEMBL29954630 0.92 L3MBTL1 (0.46) L3MBTL1TDP1MCHR1HTR2BKDM4E
SCHEMBL12538526 0.92 L3MBTL1 (0.46) L3MBTL1TDP1MCHR1HTR2BKDM4E
SCHEMBL9945959 0.89 L3MBTL1 (0.42) L3MBTL1PDE4DTDP1MCHR1CYP2A6
SCHEMBL3785252 0.88 MCHR1 (0.44) MCHR1CYP2A6HTR2CHTR2BKDM4E
SCHEMBL29957026 0.86 L3MBTL1 (0.50) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL954824 0.86 L3MBTL1 (0.50) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL29951562 0.80 MAPT (0.37) L3MBTL1PDE4DHTR2CHTR2BKDM4E
SCHEMBL28580785 0.80 PTPN1 (0.41) L3MBTL1TDP1KDM4EPTPN1
SCHEMBL6522773 0.80 MAPT (0.37) L3MBTL1PDE4DHTR2CHTR2BKDM4E

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