SCHEMBL28284342

SCHEMBL28284342

O=CCCC(=O)c1ccc(C[SH](=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ APEX1 P27695 1/20 0.35

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
SCHEMBL19043219 0.82 ALDH1A1 (0.52) L3MBTL1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28228710 0.79 HSD17B3 (0.58) L3MBTL1KMT2ASMN1; SMN2ALDH1A1HSD17B3
SCHEMBL19287121 0.76 L3MBTL1 (0.70) L3MBTL1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL29062360 0.75 PTGS1 (0.45) L3MBTL1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL27968649 0.74 GSK3B (0.55) ALDH1A1THRATHRB
SCHEMBL11525096 0.74 NPC1 (0.64) L3MBTL1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28234292 0.74 SMN1; SMN2 (0.50) L3MBTL1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9110541 0.74 GSK3B (0.55) L3MBTL1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL2118360 0.74 KMT2A (0.66) L3MBTL1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5731669 0.74 GSK3B (0.55) KMT2ARAB9ANPC1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475593-A COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE 豪夫迈·罗氏有限公司 2019-03-15 — — CN claimed
CN-109475593-A COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE 豪夫迈·罗氏有限公司 2019-03-15 — — CN disclosed
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