SCHEMBL11066444

SCHEMBL11066444

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ FFAR2 O15552 2/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL11110226 0.85 ACE (0.53) ACEKMT2AHSD17B10FFAR2ALDH1A1
SCHEMBL11071522 0.83 KMT2A (0.46) ACEKMT2AMAOBPTPN1HTT
SCHEMBL11248462 0.81 KMT2A (0.49) ACEKMT2AHSD17B10FFAR2ALDH1A1
SCHEMBL11190490 0.81 HTT (0.42) KMT2AHTTHSD17B10FFAR2
SCHEMBL11234749 0.81 ACE (0.47) ACEKMT2AHSD17B10FFAR2ALDH1A1
SCHEMBL11068373 0.80 KMT2A (0.50) ACEKMT2AHSD17B10FFAR2ALDH1A1
SCHEMBL11062257 0.76 ACE (0.55) ACEKMT2AHTTFFAR2
SCHEMBL11194364 0.76 ACE (0.52) ACEKMT2AHSD17B10
SCHEMBL11065209 0.76 ACE (0.49) ACEKMT2AHTTFFAR2
SCHEMBL11169739 0.76 ACE (0.49) ACEKMT2AHTTFFAR2

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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