SCHEMBL6604078

SCHEMBL6604078

Cc1ccc(S(=O)(=O)OCCCCCOc2cnccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.44
NAAA Q02083 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
PSMD10 O75832 1/20 0.38
LMNA P02545 1/20 0.35
CYP24A1 Q07973 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 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
SCHEMBL6606551 0.83 GRM2 (0.41) ALDH1A1MAPTCA12CA1CA9
SCHEMBL6609131 0.83 GRM2 (0.41) ALDH1A1MAPTCA12CA1CA9
SCHEMBL6604282 0.83 GRM2 (0.41) ALDH1A1MAPTCA12CA1CA9
SCHEMBL6603226 0.83 GRM2 (0.41) ALDH1A1MAPTCA12CA1CA9
SCHEMBL11050599 0.81 ALDH1A1 (0.48) ALDH1A1CA12CA1CA9PSMD10
SCHEMBL4812770 0.81 ALDH1A1 (0.48) ALDH1A1CA12CA1CA9PSMD10
SCHEMBL4815560 0.81 ALDH1A1 (0.48) ALDH1A1CA12CA1CA9PSMD10
SCHEMBL8483813 0.81 ALDH1A1 (0.48) ALDH1A1CA12CA1CA9PSMD10
SCHEMBL8484861 0.81 ALDH1A1 (0.48) ALDH1A1CA12CA1CA9PSMD10
SCHEMBL4951882 0.81 ALDH1A1 (0.48) ALDH1A1CA12CA1CA9PSMD10

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