SCHEMBL7523979

SCHEMBL7523979

C=C1C[C@H](O)[C@H](O)C/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CCCC(C)CO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPT P10636 3/20 0.69
ALDH1A1 P00352 2/20 0.69
CYP3A4 P08684 2/20 0.69
ALOX15 P16050 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
VDR P11473 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
CDC25A P30304 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
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
SCHEMBL7516578 0.92 MEN1 (0.81) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL11129087 0.92 MEN1 (0.81) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL7513386 0.90 MEN1 (0.85) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL4612634 0.87 MAPT (0.82) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL7514106 0.87 MAPT (0.82) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL4612636 0.87 MAPT (0.82) MEN1KMT2AMAPTALDH1A1CYP3A4
Water SCHEMBL28232992 0.86 MAPT (0.81) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL7519597 0.86 VDR (0.74) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL17493698 0.86 ADORA3 (0.85) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL17493699 0.86 ADORA3 (0.85) MEN1KMT2AMAPTALDH1A1CYP3A4

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