SCHEMBL11110245

SCHEMBL11110245

C[C@@H](C(=O)N1C(c2ccccc2)SC[C@H]1C(=O)O)C(S)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ FFAR2 O15552 7/20 0.47
▸ POLB P06746 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ ACE P12821 2/20 0.39
▸ LMNA P02545 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
SCHEMBL11068375 0.94 POLB (0.44) HSD17B10FFAR2POLBGAARAB9A
SCHEMBL11248466 0.93 FFAR2 (0.44) HSD17B10FFAR2POLBGAARAB9A
SCHEMBL11234757 0.90 KDM4E (0.41) HSD17B10FFAR2ALDH1A1
SCHEMBL11066449 0.89 HTT (0.44) HSD17B10FFAR2POLBGAARAB9A
SCHEMBL11062261 0.87 ACE (0.56) FFAR2POLBALDH1A1HTTACE
SCHEMBL11169752 0.86 HTT (0.38) HSD17B10FFAR2POLBGAARAB9A
SCHEMBL11065215 0.86 HTT (0.38) HSD17B10FFAR2POLBGAARAB9A
SCHEMBL11184480 0.85 FFAR2 (0.52) HSD17B10FFAR2POLBGAARAB9A
SCHEMBL11181660 0.83 FFAR2 (0.35) FFAR2HTTACE
SCHEMBL11104269 0.82 LMNA (0.46) FFAR2POLBMEN1ALDH1A1KMT2A

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-4457935-A ANGIOTENSIN-CONVERTING ENZYME INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-07-03 — — US claimed
Send feedback