SCHEMBL9307111

SCHEMBL9307111

CCCCCCCCCCCCCCOc1ccc(CN)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.61
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
LTA4H P09960 2/20 0.55
TP53 P04637 3/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGD P15428 1/20 0.54
PLA2G4B P0C869 2/20 0.53

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
SCHEMBL16584080 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL15923173 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL28006584 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL29038706 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL5991663 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL28651767 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL6717278 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL15923618 1.00 NR5A1 (0.61) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL2401164 0.98 KEAP1 (0.59) NR5A1KEAP1NFE2L2NPC1RAB9A
SCHEMBL15923077 0.96 NR5A1 (0.58) NR5A1KEAP1NFE2L2NPC1RAB9A

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-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed