SCHEMBL2838752

SCHEMBL2838752

CN(C)c1cccc2c1OCC2C(=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 5/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
DAO P14920 1/20 0.35
RGS12 O14924 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
APOBEC3A P31941 1/20 0.34
CYP2C19 P33261 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KMT2A Q03164 5/20 0.34

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
SCHEMBL2835547 0.81 GAA (0.37) SMN1; SMN2GAAALDH1A1TP53
SCHEMBL2833240 0.77 MAPT (0.46) SMN1; SMN2GAAALDH1A1RAB9ANPC1
SCHEMBL2830167 0.67 MEN1 (0.35) GAARAB9AKMT2AMEN1
SCHEMBL30799465 0.64 PIN1 (0.56) SMN1; SMN2GAACES2CES1ALDH1A1
SCHEMBL9832503 0.63 ALDH1A1 (0.62) SMN1; SMN2CES2CES1ALDH1A1RAB9A
SCHEMBL2838798 0.62 GAA (0.40) GAAALDH1A1RAB9AHPGDHSD17B10
SCHEMBL621714 0.62 ALDH1A1 (0.58) SMN1; SMN2GAACES2CES1ALDH1A1
SCHEMBL28233882 0.60 ACHE (0.33) GAA
SCHEMBL827527 0.60 CES2 (0.64) SMN1; SMN2CES2CES1ALDH1A1RAB9A
SCHEMBL6449988 0.60 CES2 (0.52) SMN1; SMN2GAACES2CES1ALDH1A1

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-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed