SCHEMBL7545052

SCHEMBL7545052

C=C1CCC(O)(O)C/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CCC(=O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 10/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ADORA3 P0DMS8 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PGR P06401 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CDC25A P30304 1/20 0.56
HSPD1 P10809 1/20 0.56
HPGD P15428 1/20 0.56
TBXA2R P21731 1/20 0.56
PTGS1 P23219 1/20 0.56
GLRA1 P23415 1/20 0.56
DRD3 P35462 1/20 0.56
HSPE1 P61604 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL8971279 0.92 VDR (0.57) VDRMAPTMEN1KMT2AADORA3
SCHEMBL19988240 0.90 VDR (0.60) VDRMAPTMEN1KMT2AADORA3
SCHEMBL232217 0.86 MAPT (0.74) VDRMAPTMEN1KMT2AADORA3
SCHEMBL8003899 0.86 MAPT (0.74) VDRMAPTMEN1KMT2AADORA3
SCHEMBL10034122 0.86 MAPT (0.74) VDRMAPTMEN1KMT2AADORA3
SCHEMBL4922329 0.86 VDR (0.67) VDRMAPTMEN1KMT2AADORA3
SCHEMBL7096828 0.86 VDR (0.67) VDRMAPTMEN1KMT2AADORA3
SCHEMBL7142687 0.86 MEN1 (0.76) VDRMAPTMEN1KMT2AADORA3
SCHEMBL5539237 0.86 MEN1 (0.76) VDRMAPTMEN1KMT2AADORA3
SCHEMBL7518542 0.85 VDR (0.61) VDRMAPTMEN1KMT2AADORA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002045704-A2 PREVENTION AND TREATMENT OF TACHYPHYLACTIC RESPONSE MOLECULAR SKINCARE LIMITED (GB) 2002-06-13 WO disclosed
EP-0969849-A1 STABLE SOLID PREPARATION CONTAINING VITAMIN D3 AND TRICALCIUM PHOSPHATE MERCK PATENT GmbH (DE) 2000-01-12 EP disclosed
WO-1998040085-A1 STABLE SOLID PREPARATION CONTAINING VITAMIN D3 AND TRICALCIUM PHOSPHATE MERCK PATENT GMBH (DE) 1998-09-17 WO disclosed
US-4292249-A VITAMIN D3 INTERMEDIATES TEIJIN LIMITED (JP) 1981-09-29 US disclosed
EP-0015122-A1 New 25-hydroxy-24-oxocholestane derivatives and preparation thereof TEIJIN LIMITED (JP) 1980-09-03 EP disclosed