SCHEMBL28510226

SCHEMBL28510226

O=C(O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PREP P48147 5/20 0.49
▸ RAB9A P51151 1/20 0.47
▸ FABP7 O15540 2/20 0.44
▸ FABP5 Q01469 2/20 0.44
▸ F2 P00734 2/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ ACE P12821 1/20 0.42

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
SCHEMBL30139033 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PREPRAB9AFABP7
SCHEMBL29074158 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PREPRAB9AFABP7
SCHEMBL29378245 0.95 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PREPRAB9AFABP7
SCHEMBL29549607 0.95 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PREPRAB9AFABP7
SCHEMBL29503800 0.95 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PREPRAB9AFABP7
SCHEMBL119560 0.95 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PREPRAB9AFABP7
SCHEMBL1002927 0.95 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PREPRAB9AFABP7
SCHEMBL118354 0.95 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PREPRAB9AFABP7
SCHEMBL30564473 0.95 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PREPRAB9AFABP7
SCHEMBL29503770 0.95 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PREPRAB9AFABP7

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
CN-110156873-B Preparation method of Fmoc-D-Pro-D-Pro-OH 成都郑源生化科技有限公司 2020-11-10 — — CN disclosed
Send feedback