SCHEMBL1896385

SCHEMBL1896385

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
ALOX15 P16050 3/20 0.60
CYP3A4 P08684 3/20 0.60
LMNA P02545 2/20 0.60
HSPD1 P10809 2/20 0.60
PTGS1 P23219 2/20 0.60
HSPE1 P61604 2/20 0.60
ADRA1A P35348 2/20 0.60
AR P10275 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
USP2 O75604 1/20 0.60
ABCB11 O95342 1/20 0.60
ESR1 P03372 1/20 0.60
TST Q16762 1/20 0.60
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
SCHEMBL17378377 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL23192305 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1896384 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL16473176 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1892774 0.88 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1892773 0.88 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1898177 0.88 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL8946861 0.82 MEN1 (0.68) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1894983 0.82 MEN1 (0.68) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL8946866 0.82 MEN1 (0.68) 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 4 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
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