SCHEMBL7518557

SCHEMBL7518557

CC(C)CCC[C@@H](C)[C@H]1CCC2C(=C/C=C3/C[C@@H](O)[C@@H](O)C/C3=C\F)CCC[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CDC25A P30304 3/20 0.69
ALDH1A1 P00352 2/20 0.69
CYP3A4 P08684 2/20 0.69
MAPT P10636 2/20 0.69
ALOX15 P16050 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
VDR P11473 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
PGR P06401 1/20 0.69
HSPD1 P10809 1/20 0.69
HPGD P15428 1/20 0.69
TBXA2R P21731 1/20 0.69
PTGS1 P23219 1/20 0.69
GLRA1 P23415 1/20 0.69
DRD3 P35462 1/20 0.69
HSPE1 P61604 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HSD17B10 Q99714 1/20 0.69

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
SCHEMBL7523615 0.91 VDR (0.78) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL7517937 0.91 VDR (0.78) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL7527332 0.90 MEN1 (0.69) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL7516578 0.89 MEN1 (0.81) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL11129087 0.89 MEN1 (0.81) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL7515104 0.85 ADORA3 (0.77) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL7516342 0.85 ADORA3 (0.77) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL10888072 0.84 ADORA3 (0.73) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL3727604 0.84 ADORA3 (0.73) MEN1KMT2ACDC25AALDH1A1CYP3A4
SCHEMBL11681021 0.84 ADORA3 (0.76) MEN1KMT2ACDC25AALDH1A1CYP3A4

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
EP-1172442-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 2002-01-16 EP disclosed