SCHEMBL1894820

SCHEMBL1894820

C=C1CC[C@H](O)C/C1=C/C=C1\C[C@H](O)C[C@]2(C)[C@H](O)CC[C@@H]12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 3/20 0.53
ALOX15 P16050 3/20 0.53
MAPT P10636 3/20 0.53
HSPD1 P10809 2/20 0.53
PTGS1 P23219 2/20 0.53
HSPE1 P61604 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
VDR P11473 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CDC25A P30304 1/20 0.53
PGR P06401 1/20 0.53
HPGD P15428 1/20 0.53
TBXA2R P21731 1/20 0.53
GLRA1 P23415 1/20 0.53
DRD3 P35462 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL1888308 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1888307 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1894822 1.00 MEN1 (0.53) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1889026 0.86 VDR (0.49) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1895119 0.86 VDR (0.49) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1896655 0.85 ALDH1A1 (0.59) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1897125 0.85 ALDH1A1 (0.59) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1892018 0.85 ALDH1A1 (0.59) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL12981577 0.85 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1892017 0.85 ALDH1A1 (0.59) MEN1KMT2AALDH1A1CYP3A4ALOX15

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
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-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