SCHEMBL8870150

SCHEMBL8870150

CN(C)c1ccc(C2SC[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.41
▸ FFAR2 O15552 4/20 0.41
▸ MMP13 P45452 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ABCB1 P08183 1/20 0.34

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
SCHEMBL8870521 1.00 POLB (0.51) POLBGAARAB9AHSD17B10FFAR2
SCHEMBL6185805 0.87 HSD17B10 (0.54) POLBGAARAB9AHSD17B10FFAR2
SCHEMBL13091656 0.87 HSD17B10 (0.54) POLBGAARAB9AHSD17B10FFAR2
SCHEMBL14024616 0.87 HSD17B10 (0.54) POLBGAARAB9AHSD17B10FFAR2
SCHEMBL3072035 0.87 HSD17B10 (0.54) POLBGAARAB9AHSD17B10FFAR2
SCHEMBL5713194 0.85 GAA (0.72) POLBGAARAB9AHSD17B10FFAR2
SCHEMBL4316372 0.82 POLB (0.49) POLBGAARAB9AHSD17B10FFAR2
SCHEMBL8870492 0.77 KDM4E (0.46) POLBGAARAB9AHSD17B10FFAR2
SCHEMBL9250150 0.77 KDM4E (0.46) POLBGAARAB9AHSD17B10FFAR2
SCHEMBL3826056 0.77 KDM4E (0.46) POLBGAARAB9AHSD17B10FFAR2

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
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