SCHEMBL10160129

SCHEMBL10160129

C[S+](CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TAAR1 Q96RJ0 3/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
TP53 P04637 1/20 0.43
AOC3 Q16853 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL11838960 0.84 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
Bromide SCHEMBL11581834 0.82 ALDH1A1 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6868253 0.80 ALDH1A1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL13146754 0.78 ALDH1A1 (0.42) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11840273 0.75 TP53 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
Butane SCHEMBL6866259 0.75 TP53 (0.58) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL349504 0.74 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL28529237 0.74 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
Ethane SCHEMBL21049496 0.74 ALDH1A1 (0.61) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL62125 0.73 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1

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-8105760-B2 Patterning process and pattern surface coating composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090053657-A1 PATTERNING PROCESS AND PATTERN SURFACE COATING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-26 US disclosed
US-3966720-A Process for producing desacetoxy cephalosporanic acid compound NIKKEN CHEMICALS CO., LTD. (JA) 1976-06-29 US disclosed