SCHEMBL21882563

SCHEMBL21882563

C/C=C(/C#N)C(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.49
EGFR P00533 1/20 0.33
CYP2C9 P11712 1/20 0.31

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
SCHEMBL19421178 0.83 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTEGFR
SCHEMBL10554603 0.80 CYP2C9 (0.50) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL17030773 0.80 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPT
SCHEMBL10554599 0.80 CYP2C9 (0.50) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL13263379 0.80 CYP2C9 (0.50) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL18909646 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL19421193 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL17030775 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTCYP2C9
SCHEMBL17030878 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPT
SCHEMBL28714433 0.76 MEN1 (0.37) ALDH1A1MEN1KMT2AMAPT

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
WO-2020068689-A1 TERPINOID DERIVATIVES AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-04-02 WO disclosed