SCHEMBL11071522

SCHEMBL11071522

O=C(SCCC(=O)N1C(c2cccc(OCc3ccccc3)c2)SC[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ ACE P12821 2/20 0.41
▸ MAOB P27338 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ FFAR2 O15552 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMPD1 P17405 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ NAAA Q02083 1/20 0.38

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
SCHEMBL11061437 0.84 KMT2A (0.58) KMT2AHSD17B10ACEFFAR2ALDH1A1
SCHEMBL11066444 0.83 ACE (0.43) KMT2AHSD17B10NR4A2ACEMAOB
SCHEMBL10938815 0.75 ACE (0.71) KMT2AACEHTTFFAR2ALDH1A1
SCHEMBL11066115 0.75 ACE (0.71) KMT2AACEHTTFFAR2ALDH1A1
SCHEMBL11067695 0.74 KMT2A (0.53) KMT2AHSD17B10ACEHTTFFAR2
SCHEMBL11257852 0.74 ACE (0.55) KMT2AHSD17B10ACEFFAR2ALDH1A1
SCHEMBL11110326 0.73 ACE (0.51) KMT2AACEHTTFFAR2
SCHEMBL3826252 0.72 POLB (0.51) HSD17B10HTTFFAR2ALDH1A1
SCHEMBL3826249 0.72 POLB (0.51) HSD17B10HTTFFAR2ALDH1A1
SCHEMBL11385050 0.72 ACE (0.61) KMT2AHSD17B10ACEFFAR2ALDH1A1

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
US-4430344-A Antihypertensive 4-thiazolidinecarboxylic acids SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-02-07 — — US claimed
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