SCHEMBL7794693

SCHEMBL7794693

CCCCCCCC(=O)n1c(C(=O)SCCCCCSC(=O)c2nc3ccccc3n2C(=O)CCCCCCC)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
ASAH1 Q13510 1/20 0.46
HTR7 P34969 4/20 0.43
OXER1 Q8TDS5 5/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CNR2 P34972 2/20 0.40
RECQL P46063 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL7792344 0.88 PTGDR2 (0.43) PTGDR2ASAH1NPSR1SAE1UBA2
SCHEMBL7792081 0.88 PTGDR2 (0.43) PTGDR2ASAH1NPSR1SAE1UBA2
SCHEMBL7796343 0.88 PTGDR2 (0.43) PTGDR2ASAH1NPSR1SAE1UBA2
SCHEMBL7796129 0.87 CYP1A2 (0.43) PTGDR2ASAH1CNR2RECQLALDH1A1
SCHEMBL7794772 0.83 CYP1A2 (0.45) PTGDR2ASAH1RECQLALDH1A1SMN1; SMN2
SCHEMBL7795665 0.81 NPSR1 (0.56) PTGDR2NPSR1SAE1UBA2CNR2
SCHEMBL7792121 0.81 IDO1 (0.47) PTGDR2ASAH1NPSR1SMN1; SMN2
SCHEMBL7795675 0.81 GAA (0.54) PTGDR2NPSR1SAE1UBA2ALDH1A1
SCHEMBL7796213 0.80 PTGDR2 (0.42) PTGDR2ASAH1NPSR1SAE1UBA2
SCHEMBL8402493 0.80 ALDH1A1 (0.56) PTGDR2ASAH1NPSR1CNR2RECQL

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-0742210-B1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2001-11-21 EP disclosed
US-5962493-A HYPOLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS FUJI PHOTO FILM CO., LTD. (JP) 1999-10-05 US disclosed
EP-0742210-A1 2-MERCAPTOBENZIMIDAZOLE DERIVATIVE AND ANTIHYPERLIPEMIC OR ANTIARTERIOSCLEROTIC AGENT CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1996-11-13 EP disclosed