SCHEMBL31336079

SCHEMBL31336079

O=C(O)Cc1cc2ccccc2[nH]1.O=C(O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
NLRP3 Q96P20 1/20 0.55
KDM4E B2RXH2 2/20 0.55
DAO P14920 2/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
SRD5A2 P31213 1/20 0.55
HSD17B10 Q99714 1/20 0.55
AKR1B1 P15121 1/20 0.54
IDO1 P14902 1/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
FLT3 P36888 1/20 0.52
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
ADAMTS4 O75173 1/20 0.47
PPARG P37231 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL49270 1.00 LOXL2 (0.56) LOXL2NLRP3KDM4EDAOMAPT
SCHEMBL29365671 1.00 LOXL2 (0.56) LOXL2NLRP3KDM4EDAOMAPT
Water SCHEMBL30025993 0.98 LOXL2 (0.55) LOXL2NLRP3KDM4EDAOMAPT
SCHEMBL31511816 0.98 LOXL2 (0.55) LOXL2NLRP3KDM4EDAOMAPT
SCHEMBL29396052 0.92 AKR1B1 (0.49) LOXL2NLRP3KDM4EDAOMAPT
Indole SCHEMBL3662699 0.89 TRPA1 (0.50) LOXL2NLRP3KDM4EDAOMAPT
SCHEMBL27697662 0.89 NLRP3 (0.50) LOXL2NLRP3KDM4EDAOMAPT
SCHEMBL3451201 0.87 LOXL2 (0.58) LOXL2NLRP3KDM4EDAOMAPT
SCHEMBL30620144 0.87 ADAMTS4 (0.50) LOXL2NLRP3KDM4EDAOMAPT
SCHEMBL1576841 0.87 POLB (0.46) LOXL2NLRP3KDM4EDAOMAPT

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-113009122-B Methods and systems for determining the risk of autism spectrum disorder 美国控股实验室公司 2025-01-17 CN disclosed