SCHEMBL1892017

SCHEMBL1892017

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nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
ALOX15 P16050 3/20 0.59
CYP3A4 P08684 3/20 0.59
LMNA P02545 2/20 0.59
HSPD1 P10809 2/20 0.59
PTGS1 P23219 2/20 0.59
HSPE1 P61604 2/20 0.59
ADRA1A P35348 2/20 0.59
AR P10275 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
USP2 O75604 1/20 0.59
ABCB11 O95342 1/20 0.59
ESR1 P03372 1/20 0.59
TST Q16762 1/20 0.59
VDR P11473 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 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
SCHEMBL1892018 1.00 ALDH1A1 (0.59) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1887971 1.00 ALDH1A1 (0.59) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1896654 1.00 ALDH1A1 (0.59) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1896655 1.00 ALDH1A1 (0.59) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1897124 1.00 ALDH1A1 (0.59) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1887969 1.00 ALDH1A1 (0.59) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1897125 1.00 ALDH1A1 (0.59) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1897965 0.88 VDR (0.53) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL12980541 0.88 VDR (0.53) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL12981279 0.88 VDR (0.53) ALDH1A1ALOX15CYP3A4LMNAHSPD1

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 3 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-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
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