SCHEMBL6606550

SCHEMBL6606550

C=C(C)n1c(OCCCCCOS(=O)(=O)c2ccc(C)cc2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH3A1 P30838 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
NR2F2 P24468 1/20 0.39
NOD1 Q9Y239 3/20 0.39
CYP24A1 Q07973 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.38
CXCL8 P10145 1/20 0.38

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
SCHEMBL6609665 0.84 HSD11B1 (0.47) HTTALDH1A1HPGDHSD17B10ALDH3A1
SCHEMBL4812770 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP24A1CYP1A2CYP3A4
SCHEMBL11050599 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP24A1CYP1A2CYP3A4
SCHEMBL3545668 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP24A1CYP1A2CYP3A4
SCHEMBL4951882 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP24A1CYP1A2CYP3A4
SCHEMBL8484861 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP24A1CYP1A2CYP3A4
SCHEMBL4954181 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP24A1CYP1A2CYP3A4
SCHEMBL8483813 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP24A1CYP1A2CYP3A4
SCHEMBL4815560 0.71 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP24A1CYP1A2CYP3A4
SCHEMBL6607741 0.71 MEN1 (0.47) ALDH1A1CYP24A1GAAPOLBKEAP1

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-6787561-B1 HYPERLIPIDEMIA, ARTERIOSCLEROSIS; ORAL ADMINISTRATION; SUPPRESSING THE FORMING OF MACROPHAGES FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
EP-1197493-B1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO LTD (JP) 2004-03-24 EP disclosed
EP-1197493-A1 BENZIMIDAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2002-04-17 EP disclosed