SCHEMBL29195397

SCHEMBL29195397

O=C(O)c1cccc(Oc2ccccc2-c2ccc([SH](=O)=O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.54
▸ CAMKK2 Q96RR4 2/20 0.48
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FFAR4 Q5NUL3 2/20 0.44
▸ KMO O15229 1/20 0.44
▸ F10 P00742 2/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAB1 Q9Y478 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ NR4A2 P43354 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ FEN1 P39748 1/20 0.41

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
SCHEMBL21179470 0.88 AKR1C3 (0.61) AKR1C3CAMKK2MRGPRX4LMNAMAPK1
SCHEMBL29195393 0.82 AKR1C3 (0.66) AKR1C3LMNAKMOKDM4ENPC1
SCHEMBL30856505 0.82 PTGS2 (0.56) AKR1C3CAMKK2MRGPRX4LMNAMAPK1
SCHEMBL29195395 0.82 PTGS2 (0.56) AKR1C3CAMKK2MRGPRX4LMNAMAPK1
SCHEMBL21177732 0.81 AKR1C3 (0.59) AKR1C3MRGPRX4LMNAMAPK1HTT
SCHEMBL27905628 0.81 AKR1C3 (0.72) AKR1C3MRGPRX4KMOKDM4ENPC1
SCHEMBL21179471 0.80 AKR1C3 (0.61) AKR1C3MRGPRX4LMNAKMOPRKAG1
SCHEMBL5668273 0.79 AKR1C3 (0.50) AKR1C3CAMKK2MRGPRX4LMNAMAPK1
SCHEMBL1042630 0.79 AKR1C3 (0.79) AKR1C3MRGPRX4KMOF10TTR
SCHEMBL29466776 0.79 AKR1C3 (0.79) AKR1C3MRGPRX4KMOF10TTR

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-113527101-B Novel compound, polymer, process for producing the same, photosensitive resin composition, pattern forming process, cured film, and electronic component 信越化学工业株式会社 2024-04-23 — — CN disclosed
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