SCHEMBL10968973

SCHEMBL10968973

COC(=O)C(CCC(=O)c1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ACE2 Q9BYF1 5/20 0.45
▸ PREP P48147 2/20 0.43
▸ FAP Q12884 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL10778950 0.94 ACE (0.55) ACELMNASMN1; SMN2ACE2ALDH1A1
SCHEMBL10779532 0.88 ACE (0.64) ACELMNASMN1; SMN2ACE2
SCHEMBL11207926 0.86 ACE (0.75) ACELMNASMN1; SMN2CYP3A4
SCHEMBL10972032 0.84 ACE (0.74) ACELMNASMN1; SMN2ACE2
Trifluoroacetic Acid SCHEMBL10971638 0.81 ACE (0.70) ACELMNASMN1; SMN2ACE2CYP3A4
SCHEMBL16364868 0.81 ACE (0.85) ACELMNASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL10970088 0.79 ACE (0.47) ACELMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL11209208 0.79 ACE (0.87) ACELMNASMN1; SMN2CYP3A4
SCHEMBL11203453 0.79 ACE (0.87) ACELMNASMN1; SMN2CYP3A4
SCHEMBL11205558 0.79 ACE (0.87) ACELMNASMN1; SMN2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4528282-A Amide derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-07-09 — — US disclosed
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 — — EP disclosed
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