SCHEMBL30995019

SCHEMBL30995019

COCOc1cc(C)ccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
ENPP2 Q13822 1/20 0.37
PTPN1 P18031 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIPE Q05469 1/20 0.35
GAA P10253 2/20 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
SCHEMBL26316395 1.00 ACHE (0.39) ACHEENPP2PTPN1L3MBTL1MAPT
SCHEMBL2703903 0.86 ACHE (0.39) ACHEPTPN1L3MBTL1MAPTHPGD
SCHEMBL29951021 0.86 ACHE (0.39) ACHEPTPN1L3MBTL1MAPTHPGD
SCHEMBL772019 0.82 ENPP2 (0.37) ENPP2PTPN1MAPTTSHRALDH1A1
SCHEMBL2140990 0.81 MAPT (0.45) ACHEL3MBTL1MAPTHPGDTSHR
SCHEMBL29447064 0.81 ENPP2 (0.44) ENPP2L3MBTL1MAPTHPGDTSHR
SCHEMBL6600252 0.81 BACE1 (0.43) ENPP2MAPTHPGDTSHRALDH1A1
SCHEMBL20704942 0.81 ENPP2 (0.44) ENPP2L3MBTL1MAPTHPGDTSHR
SCHEMBL5869062 0.81 ENPP2 (0.40) ENPP2PTPN1MAPTALDH1A1SMN1; SMN2
SCHEMBL29950672 0.81 BACE1 (0.43) ENPP2MAPTHPGDTSHRALDH1A1

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
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed