SCHEMBL9009451

SCHEMBL9009451

CC(=O)O[C@@H]1CCC[C@]2(C)[C@@H]1CC[C@H]2C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 1/20 0.44
GABRP O00591 6/20 0.42
GABRD O14764 6/20 0.42
GABRA1 P14867 6/20 0.42
GABRB1 P18505 6/20 0.42
GABRG2 P18507 6/20 0.42
GABRB3 P28472 6/20 0.42
GABRA5 P31644 6/20 0.42
GABRA3 P34903 6/20 0.42
GABRA2 P47869 6/20 0.42
GABRB2 P47870 6/20 0.42
GABRA4 P48169 6/20 0.42
GABRE P78334 6/20 0.42
GABRA6 Q16445 6/20 0.42
GABRG1 Q8N1C3 6/20 0.42
GABRG3 Q99928 6/20 0.42

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
SCHEMBL31267268 1.00 MEN1 (0.47) MEN1KMT2ATDP1CYP3A4ALDH1A1
SCHEMBL10125299 1.00 MEN1 (0.47) MEN1KMT2ATDP1CYP3A4ALDH1A1
SCHEMBL9009430 1.00 MEN1 (0.47) MEN1KMT2ATDP1CYP3A4ALDH1A1
SCHEMBL10125292 0.86 GABRP (0.43) MEN1KMT2ACYP3A4GABRPGABRD
SCHEMBL8503805 0.80 ABCB1 (0.49) MEN1KMT2ATDP1LMNA
SCHEMBL8995585 0.80 GRIN2D (0.39) MEN1KMT2ACYP3A4GABRPGABRD
SCHEMBL13410550 0.79 CYP3A4 (0.46) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL10054936 0.79 GRIN2D (0.38) MEN1KMT2ACYP3A4GABRPGABRD
SCHEMBL20110153 0.79 GRIN2D (0.38) MEN1KMT2ACYP3A4GABRPGABRD
SCHEMBL10125405 0.79 GRIN2D (0.38) MEN1KMT2ACYP3A4GABRPGABRD

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-5585368-A SKIN DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed