SCHEMBL30524282

SCHEMBL30524282

O=C(Cl)Oc1ccccc1OC(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.43
ALDH1A1 P00352 6/20 0.43
ALOX15 P16050 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
PTGS1 P23219 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
TSHR P16473 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS2 P35354 1/20 0.40
BLM P54132 1/20 0.40
NAPRT Q6XQN6 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
SCHEMBL5696260 1.00 SERPINE1 (0.43) SERPINE1ALDH1A1ALOX15TP53HSD17B10
SCHEMBL297205 0.89 CA1 (0.56) ALDH1A1TP53HSD17B10MAPTKMT2A
SCHEMBL2137125 0.87 FABP7 (0.39) SERPINE1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL695666 0.85 PTK2B (0.50) ALDH1A1TP53HPGDMAPTKMT2A
SCHEMBL27601473 0.85 GAA (0.50) SERPINE1ALDH1A1ALOX15TP53HSD17B10
SCHEMBL9861829 0.85 PTGDR2 (0.37) SERPINE1ALDH1A1ALOX15TP53HSD17B10
SCHEMBL965339 0.84 TDP1 (0.47) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL833161 0.84 GRM4 (0.44) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL28857872 0.84 TSHR (0.47) ALDH1A1ALOX15HSD17B10KDM4EHPGD
SCHEMBL1977066 0.84 ALDH1A1 (0.48) ALDH1A1ALOX15KDM4EHPGDMAPT

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-112368070-B Method for preparing organic-inorganic mixed microcapsule 株式会社LG生活健康 2023-09-19 CN disclosed