SCHEMBL7276909

SCHEMBL7276909

CCOC(=O)OC1(C#N)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SOAT1 P35610 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
HIF1A Q16665 1/20 0.33
DPP4 P27487 1/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL7270574 0.98 ALDH1A1 (0.41) ALDH1A1SOAT1MEN1KMT2ATSHR
SCHEMBL11592228 0.83 ALDH1A1 (0.40) ALDH1A1SOAT1MEN1KMT2AKDM4E
SCHEMBL3816283 0.80 ALDH1A1 (0.33) ALDH1A1TSHRKDM4EMAPTALOX12
SCHEMBL10929994 0.80 ALDH1A1 (0.38) ALDH1A1BACE1
SCHEMBL10033536 0.77 KDM4E (0.33) ALDH1A1KDM4EDPP4BACE1
SCHEMBL9843658 0.76 ALDH1A1 (0.38) ALDH1A1MAPTDPP4BACE1
SCHEMBL8308690 0.76 ALDH1A1 (0.48) ALDH1A1SOAT1MEN1KMT2AKDM4E
SCHEMBL2861221 0.76 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ADPP4BACE1
SCHEMBL11096615 0.76 BACE1 (0.31) KDM4EDPP4BACE1
SCHEMBL3817812 0.74 ALDH1A1 (0.37) ALDH1A1DPP4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528762-B1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
EP-0528762-A1 N-acyl-N-heterocyclyl- or naphthyl-alkyl amino acids as angiotensin II antagonists CIBA-GEIGY AG (CH) 1993-02-24 EP disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed