SCHEMBL29951173

SCHEMBL29951173

COc1ccc(C(=O)c2ccc3c4ccccc4[s+]([O-])c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAOB P27338 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44

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
SCHEMBL29404931 0.92 CNR2 (0.49) ALDH1A1GAACNR2CNR1MAPT
SCHEMBL29950913 0.79 KMT2A (0.51) ALDH1A1CNR2CNR1MAPTHPGD
SCHEMBL11549279 0.77 CNR2 (0.51) ALDH1A1CNR2CNR1MAPTHPGD
SCHEMBL2300788 0.77 ATM (0.48) ALDH1A1CNR2MAPTHPGDKMT2A
SCHEMBL11599650 0.75 ALDH1A1 (0.51) ALDH1A1CNR2CNR1MAPTHPGD
SCHEMBL29950603 0.75 CYP2C19 (0.46) HPGDSMN1; SMN2CYP2C19TUBB4ATUBB
SCHEMBL11549096 0.75 CNR2 (0.46) ALDH1A1CNR2CNR1MAPTNPSR1
SCHEMBL11552140 0.74 CNR1 (0.45) ALDH1A1CNR2CNR1MAPTHPGD
SCHEMBL11233630 0.74 SMN1; SMN2 (0.52) ALDH1A1GAAMAPTHPGDKMT2A
SCHEMBL3164470 0.74 PARP1 (0.49) ALDH1A1GAAMAPTHPGDKMT2A

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
WO-2022196258-A1 ONIUM SALT, PHOTOACID GENERATOR, COMPOSITION, AND METHOD FOR PRODUCING DEVICE USING SAME 東洋合成工業株式会社 2022-09-22 WO disclosed