SCHEMBL11534624

SCHEMBL11534624

CC(C)=CCC(=O)C1C2C=CC(C2)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3192520 0.77 TDP1 (0.38) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL11636805 0.76 TDP1 (0.37) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL8996568 0.73 TDP1 (0.41) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL9298779 0.73 ALDH1A1 (0.38) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL11533600 0.70 ALDH1A1 (0.35) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL11541316 0.70 ALDH1A1 (0.35) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL11569482 0.69 LMNA (0.44) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL11538735 0.69 ALDH1A1 (0.33) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL11536857 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11577287 0.67 ALDH1A1 (0.32) ALDH1A1TDP1MEN1POLBKMT2A

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
US-4136208-A FLAVORING WITH SUBSTITUTED NORBORNANE DERIVATIVES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-01-23 US disclosed