Sugi Predict

Sugi Predict / Compounds / SCHEMBL8871027

SCHEMBL8871027

SCHEMBL8871027

NCC(=O)N1[C@@H](c2c(F)cccc2Cl)SC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ FFAR2 O15552 11/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ACE P12821 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL8871782 0.81 ACE (0.51) LMNAFFAR2ALDH1A1ACEHTT
SCHEMBL8860652 0.81 ACE (0.56) LMNAFFAR2ALDH1A1ACEHTT
SCHEMBL8870553 0.81 ACE (0.56) LMNAFFAR2ALDH1A1ACEHTT
SCHEMBL8871931 0.79 HTT (0.39) LMNAFFAR2ALDH1A1ACEHTT
SCHEMBL8870565 0.76 HSD17B10 (0.57) LMNAFFAR2ALDH1A1ACE
SCHEMBL8871013 0.76 HSD17B10 (0.57) LMNAFFAR2ALDH1A1ACE
SCHEMBL8829187 0.73 ACE (0.55) LMNAFFAR2ALDH1A1ACE
SCHEMBL10920568 0.72 ACE (0.74) LMNAFFAR2ALDH1A1ACEHTT
SCHEMBL10920564 0.72 ACE (0.74) LMNAFFAR2ALDH1A1ACEHTT
SCHEMBL11282508 0.72 ACE (0.74) LMNAFFAR2ALDH1A1ACEHTT

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
Send feedback