SCHEMBL8776159

SCHEMBL8776159

CC(C)(C)C1CCC2(CC1)C(C#N)C(=O)NC(=O)C2C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
GAA P10253 8/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NOD2 Q9HC29 1/20 0.41
POLB P06746 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
XBP1 P17861 1/20 0.39
STAT6 P42226 1/20 0.39
HIF1A Q16665 1/20 0.39
ATM Q13315 3/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 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
SCHEMBL8423510 0.77 ALDH1A1 (0.42) ALDH1A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL19112477 0.76 ALDH1A1 (0.44) ALDH1A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL2147312 0.74 ALDH1A1 (0.36) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL13082552 0.70 ALDH1A1 (0.43) ALDH1A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL9356254 0.70 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL5856784 0.69 CYP2C9 (0.37) ALDH1A1GAAMAPTUSP2TSHR
SCHEMBL6425505 0.68 ALDH1A1 (0.33) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL6425510 0.68 ALDH1A1 (0.33) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL6378618 0.68 ALDH1A1 (0.33) ALDH1A1GAASMN1; SMN2LMNAMAPK1
SCHEMBL7708743 0.66 ALDH1A1 (0.35) ALDH1A1GAAMAPTSMN1; SMN2LMNA

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-0570263-B1 New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them ADIR (FR) 1997-12-03 EP disclosed
US-5436343-A Thromboxane A2 receptor antagonist, thromoboxane A2 synthase inhibitor ADIR ET COMPAGNIE (FR) 1995-07-25 US disclosed
EP-0621267-A1 Spiropiperidine derivatives and their use as fungicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-10-26 EP disclosed
EP-0570263-A1 New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them ADIR ET COMPAGNIE (FR) 1993-11-18 EP disclosed