SCHEMBL29159124

SCHEMBL29159124

O=C(Oc1ccccc1)c1cccc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
HNF4A P41235 1/20 0.49
ALDH1A1 P00352 3/20 0.47
PDCD1 Q15116 3/20 0.46
CD274 Q9NZQ7 3/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
FOLH1 Q04609 1/20 0.45
BCAT2 O15382 1/20 0.43
LMNA P02545 2/20 0.43
NR4A2 P43354 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL50363 0.92 MAPT (0.56) MAPTKDM4ETDP1HSD17B10HPGD
SCHEMBL11015871 0.87 HNF4A (0.53) MAPTKDM4ETDP1HSD17B10HPGD
SCHEMBL11730266 0.86 MAPT (0.65) MAPTKDM4ETDP1HSD17B10HPGD
SCHEMBL7865705 0.85 HNF4A (0.53) MAPTHSD17B10ALOX15HNF4AALDH1A1
SCHEMBL3453990 0.84 HSD17B10 (0.61) MAPTKDM4ETDP1HSD17B10HPGD
SCHEMBL27410294 0.84 MAPT (0.47) MAPTKDM4ETDP1HSD17B10HPGD
SCHEMBL29057957 0.82 SLC6A3 (0.55) MAPTTDP1HSD17B10HPGDHNF4A
SCHEMBL28376689 0.82 MAPT (0.56) MAPTKDM4ETDP1HSD17B10HPGD
SCHEMBL9306956 0.82 HNF4A (0.64) MAPTKDM4ETDP1HSD17B10HPGD
SCHEMBL31636317 0.82 SLC6A3 (0.55) MAPTTDP1HSD17B10HPGDHNF4A

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-114755316-B Method for screening dangerous substances in food contact material and application 广州质量监督检测研究院 2024-02-27 CN disclosed