SCHEMBL327190

SCHEMBL327190

[c]1ccc(OCC2(COc3ccccc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.39
KCNH2 Q12809 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.34
CHRM3 P20309 2/20 0.33
MAOA P21397 1/20 0.33
PTGS1 P23219 1/20 0.33
LTA4H P09960 1/20 0.33
GRM2 Q14416 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL27923627 0.80 KCNA3 (0.34) KCNA3KCNH2TAAR1ALDH1A1RECQL
SCHEMBL9577039 0.79 KCNA3 (0.43) KCNA3TAAR1ALDH1A1RECQLTDP1
SCHEMBL15993235 0.77 KCNA3 (0.41) KCNA3KCNH2TAAR1ALDH1A1RECQL
SCHEMBL12453902 0.77 TAAR1 (0.47) KCNA3KCNH2TAAR1ALDH1A1RECQL
SCHEMBL3696413 0.76 KCNA3 (0.61) KCNA3TAAR1ALDH1A1RECQLLTA4H
SCHEMBL6538593 0.76 KCNA3 (0.48) KCNA3KCNH2TAAR1ALDH1A1RECQL
SCHEMBL5583706 0.74 KCNA3 (0.65) KCNA3TAAR1ALDH1A1RECQLLTA4H
SCHEMBL6539549 0.74 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLLTA4H
SCHEMBL833644 0.73 HPGD (0.39) ALDH1A1TDP1ALOX15MEN1KMT2A
SCHEMBL28914522 0.72 ALDH1A1 (0.45) KCNA3TAAR1ALDH1A1RECQLTDP1

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
EP-2590930-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2013-05-15 EP disclosed
WO-2012004270-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-12 WO disclosed