SCHEMBL1890289

SCHEMBL1890289

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C(O)C1(O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
MAPT P10636 3/20 0.71
ALDH1A1 P00352 2/20 0.71
CYP3A4 P08684 2/20 0.71
ALOX15 P16050 2/20 0.71
ADORA3 P0DMS8 2/20 0.71
VDR P11473 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
CDC25A P30304 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
PGR P06401 1/20 0.71
HSPD1 P10809 1/20 0.71
HPGD P15428 1/20 0.71
TBXA2R P21731 1/20 0.71
PTGS1 P23219 1/20 0.71
GLRA1 P23415 1/20 0.71
DRD3 P35462 1/20 0.71
HSPE1 P61604 1/20 0.71
HSD17B10 Q99714 1/20 0.71

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
SCHEMBL10847899 0.91 VDR (0.61) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL11129087 0.88 MEN1 (0.81) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL7516578 0.88 MEN1 (0.81) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL22577759 0.87 MAPT (0.77) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL7211135 0.87 MAPT (0.77) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL378182 0.87 MAPT (0.77) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL28255174 0.87 MAPT (0.77) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL4974563 0.87 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL4281108 0.86 VDR (0.70) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL11681021 0.85 ADORA3 (0.76) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588539-B1 Stabilized pharmaceutical compositions containing derivatives of vitamins D2 and D3 TEVA PHARMA (IL) 1997-02-05 EP claimed
US-4617297-A CALCIUM METABOLIC DISORDERS HOFFMANN-LA ROCHE INC. (US) 1986-10-14 US claimed
US-20210148933-A1 METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS Pepsis Limited (GB) 2021-05-20 US disclosed
US-20140200201-A1 Enzymatic Production or Chemical Synthesis and Uses for 5,7-Dienes and UVB Conversion Products Thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2014-07-17 US disclosed
US-20120258938-A1 Enzymatic Production or Chemical Synthesis and Uses for 5,7-Dienes and UVB Conversion Products Thereof SLOMINSKI ANDREJ (US) 2012-10-11 US disclosed
EP-2352500-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS Celtaxsys, INC. (US) 2011-08-10 EP disclosed
US-20110118228-A1 Enzymatic production or chemical synthesis and uses for 5,7-dienes and UVB conversion products thereof SLOMINSKI ANDRZEJ 2011-05-19 US disclosed
WO-2010042788-A1 METHOD OF INDUCING NEGATIVE CHEMOTAXIS CELTAXSYS, INC. (US) 2010-04-15 WO disclosed
WO-2009108388-A2 ENZYMATIC PRODUCTION OR CHEMICAL SYNTHESIS AND USES FOR 5,7-DIENES AND UVB CONVERSION PRODUCTS THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-09-03 WO disclosed
US-5120722-A Trihydroxy-cholecacliferol and trihydroxy-ergocalciferol for treating leukemia HOFFMANN-LA ROCHE INC. (US) 1992-06-09 US disclosed
US-5110958-A Antitumor agents HOFFMANN-LA ROCHE INC. (US) 1992-05-05 US disclosed
US-4749710-A HYDROXYLATED ERGOCALCIFEROLS; ADMINISTERING HOFFMANN-LA ROCHE INC. (US) 1988-06-07 US disclosed
US-4617297-A CALCIUM METABOLIC DISORDERS HOFFMANN-LA ROCHE INC. (US) 1986-10-14 US disclosed
US-4617297-A CALCIUM METABOLIC DISORDERS HOFFMANN-LA ROCHE INC. (US) 1986-10-14 US disclosed
US-4223131-A VITAMIN D-LIKE, INCREASES SERUM CALCIUM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1980-09-16 US disclosed
WO-1980001565-A1 25-HYDROXYCHOLECALCIFEROL-26,23-LACTONE WISCONSIN ALUMNI RES FOUND (US) 1980-08-07 WO disclosed