SCHEMBL8870565

SCHEMBL8870565

NCC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.57
▸ ACE P12821 2/20 0.52
▸ FFAR2 O15552 8/20 0.50
▸ POLB P06746 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8871013 1.00 HSD17B10 (0.57) HSD17B10ACEFFAR2POLBGAA
SCHEMBL11385050 0.88 ACE (0.61) HSD17B10ACEFFAR2POLBGAA
SCHEMBL10939993 0.84 ACE (0.57) HSD17B10ACEFFAR2POLBGAA
SCHEMBL10920568 0.84 ACE (0.74) HSD17B10ACEFFAR2POLBALDH1A1
SCHEMBL10920564 0.84 ACE (0.74) HSD17B10ACEFFAR2POLBALDH1A1
SCHEMBL11282508 0.84 ACE (0.74) HSD17B10ACEFFAR2POLBALDH1A1
SCHEMBL683641 0.83 ACE (0.73) HSD17B10ACEFFAR2POLBGAA
SCHEMBL8860652 0.83 ACE (0.56) HSD17B10ACEFFAR2POLBALDH1A1
SCHEMBL8870553 0.83 ACE (0.56) HSD17B10ACEFFAR2POLBALDH1A1
SCHEMBL13091650 0.82 HSD17B10 (0.54) HSD17B10ACEFFAR2POLBGAA

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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