SCHEMBL10972707

SCHEMBL10972707

C[C@H](NC(CC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.55
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
KLK7 P49862 1/20 0.42
ACE2 Q9BYF1 5/20 0.42
YAP1 P46937 2/20 0.42
KLK5 Q9Y337 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
EGFR P00533 1/20 0.41
FKBP1A P62942 1/20 0.41
CMA1 P23946 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
SCHEMBL10971210 0.90 ACE (0.51) ACELMNASMN1; SMN2ACE2KLK5
SCHEMBL10610279 0.84 ACE (0.60) ACELMNASMN1; SMN2ACE2
Hydrochloric Acid SCHEMBL10974449 0.84 ACE (0.62) ACELMNASMN1; SMN2ACE2
SCHEMBL10783023 0.84 ACE (0.42) ACELMNASMN1; SMN2ACE2KLK5
Hydrochloric Acid SCHEMBL10611825 0.84 ACE (0.59) ACELMNASMN1; SMN2ACE2
SCHEMBL10968745 0.82 ACE (0.58) ACELMNASMN1; SMN2ACE2FKBP1A
Fumaric Acid SCHEMBL10612018 0.81 SMN1; SMN2 (0.62) ACELMNASMN1; SMN2ACE2
Maleic Acid SCHEMBL10612014 0.81 SMN1; SMN2 (0.62) ACELMNASMN1; SMN2ACE2
SCHEMBL10071093 0.81 ACE (0.64) ACEKLK7ACE2YAP1KLK5
SCHEMBL5015695 0.80 ACE (0.70) ACELMNASMN1; SMN2

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