SCHEMBL5833727

SCHEMBL5833727

CCCC(C)(C)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL11066485 0.84 TP53 (0.44) TP53ALDH1A1ALOX12HPGDALOX15
SCHEMBL27850999 0.81 ALDH1A1 (0.39) ALDH1A1ALOX12HPGDALOX15CASP1
SCHEMBL6989028 0.81 TDP1 (0.54) ALDH1A1ALOX12HPGDALOX15CASP1
SCHEMBL19606967 0.79 LOXL2 (0.43) ALDH1A1TDP1MEN1LMNAHTT
SCHEMBL18387802 0.79 GFER (0.50) ALDH1A1TAAR1TDP1MAPTCYP2A6
SCHEMBL24143907 0.79 KCNH2 (0.44) SIGMAR1HPGDTAAR1KCNH2AOC3
SCHEMBL28358189 0.79 HRH3 (0.40) ALDH1A1ALOX12HPGDALOX15CASP1
SCHEMBL13545891 0.78 TDP1 (0.50) ALDH1A1ALOX12HPGDALOX15CASP1
SCHEMBL18231464 0.78 TAAR1 (0.50) ALDH1A1ALOX12HPGDALOX15CASP1
SCHEMBL11483933 0.77 TDP1 (0.43) TP53SIGMAR1ALDH1A1ALOX12HPGD

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
EP-2628744-B1 Silicon-containing surface modifier, resist underlayer film composition containing this, and patterning process SHINETSU CHEMICAL CO (JP) 2016-11-30 EP disclosed
EP-2540780-B1 Composition for forming resist underlayer film and patterning process using the same SHINETSU CHEMICAL CO (JP) 2016-07-20 EP disclosed
US-7056935-B2 Rotamase enzyme activity inhibitors GPI NIL HOLDINGS, INC. (US) 2006-06-06 US disclosed