SCHEMBL6037770

SCHEMBL6037770

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 5/20 0.80
▸ MAPT P10636 5/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.78
▸ SREBF1 P36956 1/20 0.78
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ CYP3A4 P08684 3/20 0.66
▸ ALOX15 P16050 3/20 0.66
▸ PGR P06401 2/20 0.66
▸ ADORA3 P0DMS8 2/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ CDC25A P30304 1/20 0.66
▸ HSPD1 P10809 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ TBXA2R P21731 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ GLRA1 P23415 1/20 0.66
▸ DRD3 P35462 1/20 0.66
▸ HSPE1 P61604 1/20 0.66

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
SCHEMBL8769443 1.00 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18023064 1.00 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL12517774 1.00 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18021746 0.91 VDR (0.72) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL10349035 0.89 VDR (0.74) VDRMAPTSMN1; SMN2SREBF1PGR
Maxacalcitol SCHEMBL24066887 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL7084224 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL20460962 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL20460998 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL5153671 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071178-B2 Use of vitamin D-derivatives in the treatment of osteoporosis and related bone disorders, as well as novel vitamin D3-derivatives LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2006-07-04 — — US disclosed
US-20040069523-A1 Use of Vitamin D-Derivatives in the Treatment of Osteoporosis and related bone disorders, as well as novel vitamin D3-Deviratives LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2004-04-15 — — US disclosed
EP-1255732-A1 USE OF VITAMIN D-DERIVATIVES IN THE TREATMENT OF OSTEOPOROSIS AND RELATED BONE DISORDERS, AS WELL AS NOVEL VITAMIN D3-DERIVATIVES Leo Pharma A/S (DK) 2002-11-13 — — EP disclosed
WO-2001056981-A1 USE OF VITAMIN D-DERIVATIVES IN THE TREATMENT OF OSTEOPOROSIS AND RELATED BONE DISORDERS, AS WELL AS NOVEL VITAMIN D3-DERIVATIVES LEO PHARMA A/S (DK) 2001-08-09 — — WO disclosed
EP-0662953-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 1997-06-18 — — EP disclosed
EP-0522013-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 1994-11-23 — — EP disclosed
EP-0506794-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 1994-08-24 — — EP disclosed
EP-0460032-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 1994-04-27 — — EP disclosed
WO-1991015475-A1 NOVEL VITAMIN D ANALOGUES Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1991-10-17 — — WO disclosed
WO-1991009841-A1 NOVEL VITAMIN D ANALOGUES Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1991-07-11 — — WO disclosed
EP-0078704-B1 INTERMEDIATES IN THE SYNTHESIS OF VITAMIN D DERIVATIVES RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) 1987-04-29 — — EP disclosed
EP-0078704-A1 Intermediates in the synthesis of vitamin D derivatives RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) 1983-05-11 — — EP disclosed
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