SCHEMBL29158552

SCHEMBL29158552

O=C(CO)CC(=O)Cc1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.53
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
DCLRE1A Q6PJP8 1/20 0.44
DCLRE1B Q9H816 1/20 0.44
BCAT2 O15382 1/20 0.44
HIF1A Q16665 1/20 0.43
MAPT P10636 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CLCN2 P51788 1/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PTGER4 P35408 1/20 0.40

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
SCHEMBL6530167 0.85 FOLH1 (0.59) FOLH1ALDH1A1ALOX15TSHRBCAT2
SCHEMBL6824473 0.81 KDM4E (0.53) FOLH1ALDH1A1ALOX15TSHRBCAT2
SCHEMBL8710388 0.79 FOLH1 (0.49) FOLH1ALDH1A1ALOX15TSHRDCLRE1A
SCHEMBL12013904 0.78 FOLH1 (0.52) FOLH1ALDH1A1ALOX15TSHRBCAT2
2-Carboxybenzeneacetic Acid SCHEMBL1891118 0.77 AKR1B1 (0.61) FOLH1ALDH1A1ALOX15TSHRBCAT2
2-Carboxybenzeneacetic Acid SCHEMBL27477 0.77 AKR1B1 (0.61) FOLH1ALDH1A1ALOX15TSHRBCAT2
SCHEMBL3629772 0.76 TSHR (0.46) FOLH1ALDH1A1TSHRCLCN2HTT
SCHEMBL28332847 0.75 FOLH1 (0.49) FOLH1ALDH1A1ALOX15TSHRHIF1A
SCHEMBL9464875 0.75 FOLH1 (0.49) FOLH1ALDH1A1ALOX15TSHRBCAT2
2-Carboxybenzeneacetic Acid SCHEMBL3975685 0.75 BCAT2 (0.59) FOLH1ALDH1A1ALOX15TSHRBCAT2

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-117447319-A 1- (substituted benzene) oxy-2, 4-pentanedione compound or salt thereof and application thereof as PVC stabilizer 武汉埃迪鑫新材料科技有限公司 2024-01-26 CN disclosed