SCHEMBL7513386

SCHEMBL7513386

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

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.85
KMT2A Q03164 3/20 0.85
MAPT P10636 3/20 0.85
ALDH1A1 P00352 3/20 0.85
CYP3A4 P08684 3/20 0.85
ALOX15 P16050 3/20 0.85
SMN1; SMN2 Q16637 2/20 0.85
ADORA3 P0DMS8 2/20 0.85
HSPD1 P10809 2/20 0.85
PTGS1 P23219 2/20 0.85
HSPE1 P61604 2/20 0.85
VDR P11473 2/20 0.85
TDP1 Q9NUW8 1/20 0.85
CDC25A P30304 1/20 0.85
PGR P06401 1/20 0.85
HPGD P15428 1/20 0.85
TBXA2R P21731 1/20 0.85
GLRA1 P23415 1/20 0.85
DRD3 P35462 1/20 0.85
HSD17B10 Q99714 1/20 0.85

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
Cholecalciferol SCHEMBL8082779 0.92 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL13717177 0.92 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL13475366 0.92 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL4545272 0.92 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL4873580 0.92 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL23878716 0.92 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL13989117 0.92 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL21264875 0.92 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL20511118 0.92 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL2734123 0.92 MEN1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892637-B Preparation method of 7-dehydro-25-hydroxycholesterol 山东海能生物工程有限公司 2022-10-14 CN disclosed
CN-111892637-A Preparation method of 7-dehydro-25-hydroxycholesterol 山东海能生物工程有限公司 2020-11-06 CN disclosed
EP-1172442-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 2002-01-16 EP disclosed
EP-0461921-B1 Method for the biological preparation of hydroxyvitamin D compounds MERCIAN CORP (JP) 1995-09-06 EP disclosed
EP-0461921-A2 Method for the biological preparation of hydroxyvitamin D compounds MERCIAN CORPORATION (JP) 1991-12-18 EP disclosed