SCHEMBL29956414

SCHEMBL29956414

CCOc1nccc(C)c1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LRRK2 Q5S007 1/20 0.41
GRM5 P41594 2/20 0.36
NPC1 O15118 4/20 0.35
TSHR P16473 1/20 0.35
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SLC13A5 Q86YT5 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RPS6KA5 O75582 1/20 0.32

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
SCHEMBL16225784 1.00 HPGD (0.43) HPGDSMN1; SMN2LRRK2GRM5NPC1
SCHEMBL29951146 0.81 CCR1 (0.33) NOS2NOS3ALDH1A1MAPT
SCHEMBL16225239 0.81 CCR1 (0.33) NOS2NOS3ALDH1A1MAPT
SCHEMBL22121997 0.75 KDM4E (0.37) HPGDSMN1; SMN2ALDH1A1MAPK1RAB9A
SCHEMBL16231386 0.75 HPGD (0.50) HPGDSMN1; SMN2LRRK2GRM5NPC1
SCHEMBL17473788 0.74 L3MBTL1 (0.46) HPGDSMN1; SMN2TSHRALDH1A1L3MBTL1
SCHEMBL16110848 0.72 CCR1 (0.38) NOS2NOS3
SCHEMBL29954504 0.72 CCR1 (0.38) NOS2NOS3
SCHEMBL12903576 0.72 HPGD (0.47) HPGDSMN1; SMN2LRRK2GRM5NPC1
SCHEMBL5942693 0.72 HPGD (0.47) HPGDSMN1; SMN2LRRK2GRM5NPC1

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