SCHEMBL31030047

SCHEMBL31030047

O=C(O)c1ccc(C(=O)O)c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CASP6 P55212 3/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ PTPN11 Q06124 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL11336339 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDKDM4ELCK
SCHEMBL28261137 0.98 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDKDM4ELCK
SCHEMBL11330088 0.83 LMNA (0.59) ALDH1A1HSD17B10HPGDKDM4EACE2
SCHEMBL28398335 0.83 LMNA (0.41) ALDH1A1HSD17B10HPGDKDM4ECASP6
SCHEMBL1207232 0.82 HSD17B10 (0.69) ALDH1A1HSD17B10HPGDKDM4ELCK
SCHEMBL6560313 0.82 HSD17B10 (0.69) ALDH1A1HSD17B10HPGDKDM4ELCK
SCHEMBL61251 0.82 HSD17B10 (0.69) ALDH1A1HSD17B10HPGDKDM4ELCK
SCHEMBL4357040 0.80 HSD17B10 (0.49) ALDH1A1HSD17B10HPGDKDM4ELCK
SCHEMBL1207224 0.80 HSD17B10 (0.67) ALDH1A1HSD17B10HPGDKDM4ELCK
Potassium SCHEMBL574222 0.80 HSD17B10 (0.67) ALDH1A1HSD17B10HPGDKDM4ELCK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118995302-A Corrosion-resistant marine special gear oil and preparation method thereof 孚迪斯石油化工科技(葫芦岛)股份有限公司 2024-11-22 — — CN claimed
CN-118439834-A Blast furnace slag solid waste base concrete and preparation process thereof 廊坊恒德新材料有限公司 2024-08-06 — — CN claimed
CN-118995302-A Corrosion-resistant marine special gear oil and preparation method thereof 孚迪斯石油化工科技(葫芦岛)股份有限公司 2024-11-22 — — CN disclosed
CN-118439834-A Blast furnace slag solid waste base concrete and preparation process thereof 廊坊恒德新材料有限公司 2024-08-06 — — CN disclosed
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