SCHEMBL4281111

SCHEMBL4281111

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
CDC25A P30304 3/20 0.68
ADORA3 P0DMS8 3/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP3A4 P08684 2/20 0.68
ALOX15 P16050 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
PGR P06401 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
HSPD1 P10809 1/20 0.68
HPGD P15428 1/20 0.68
TBXA2R P21731 1/20 0.68
PTGS1 P23219 1/20 0.68
GLRA1 P23415 1/20 0.68
DRD3 P35462 1/20 0.68
HSPE1 P61604 1/20 0.68
HSD17B10 Q99714 1/20 0.68

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
SCHEMBL3698818 0.89 MAPT (0.69) VDRMAPTMEN1KMT2ACDC25A
SCHEMBL260762 0.89 MAPT (0.69) VDRMAPTMEN1KMT2ACDC25A
SCHEMBL10034118 0.89 MAPT (0.69) VDRMAPTMEN1KMT2ACDC25A
SCHEMBL6842113 0.89 MAPT (0.69) VDRMAPTMEN1KMT2ACDC25A
SCHEMBL8440710 0.87 ADORA3 (0.61) VDRMAPTMEN1KMT2ACDC25A
SCHEMBL10034122 0.86 MAPT (0.74) VDRMAPTMEN1KMT2ACDC25A
SCHEMBL8003899 0.86 MAPT (0.74) VDRMAPTMEN1KMT2ACDC25A
SCHEMBL232217 0.86 MAPT (0.74) VDRMAPTMEN1KMT2ACDC25A
SCHEMBL4960177 0.86 MAPT (0.74) VDRMAPTMEN1KMT2ACDC25A
SCHEMBL18075736 0.86 MAPT (0.66) VDRMAPTMEN1KMT2ACDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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