SCHEMBL8971279

SCHEMBL8971279

C=C1CCC(O)(O)C/C1=C/C=C1CCC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 7/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
CDC25A P30304 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
ADORA3 P0DMS8 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
PGR P06401 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
SCHEMBL7545052 0.92 VDR (0.56) VDRMEN1KMT2AMAPTCDC25A
SCHEMBL8003899 0.87 MAPT (0.74) VDRMEN1KMT2AMAPTCDC25A
SCHEMBL4922329 0.87 VDR (0.67) VDRMEN1KMT2AMAPTCDC25A
SCHEMBL10034122 0.87 MAPT (0.74) VDRMEN1KMT2AMAPTCDC25A
SCHEMBL7096828 0.87 VDR (0.67) VDRMEN1KMT2AMAPTCDC25A
SCHEMBL232217 0.87 MAPT (0.74) VDRMEN1KMT2AMAPTCDC25A
SCHEMBL11524819 0.85 MAPT (0.61) VDRMEN1KMT2AMAPTCDC25A
SCHEMBL11524817 0.85 MAPT (0.61) VDRMEN1KMT2AMAPTCDC25A
SCHEMBL5614119 0.85 VDR (0.50) VDRMEN1KMT2AMAPTCDC25A
SCHEMBL6403771 0.85 MAPT (0.75) VDRMEN1KMT2AMAPTCDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696275-A1 VITAMIN D AMIDE DERIVATIVES RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY (US) 1996-02-14 EP claimed
WO-1994026707-A1 VITAMIN D AMIDE DERIVATIVES HOLMES, MICHAEL, JOHN (GB) 1994-11-24 WO claimed