SCHEMBL8540596

SCHEMBL8540596

[CH](Sc1ccccc1)Sc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGLL Q99685 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 8/20 0.43
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPK1 P28482 1/20 0.43
PLIN1 O60240 1/20 0.43
HTT P42858 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
FFAR1 O14842 1/20 0.35
MAOB P27338 4/20 0.33
MAOA P21397 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33

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
SCHEMBL9517373 0.80 ALDH1A1 (0.54) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL9517366 0.80 ALDH1A1 (0.54) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL9517370 0.80 ALDH1A1 (0.54) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL2438527 0.75
SCHEMBL2850801 0.75
Phenyl Vinyl Sulfide SCHEMBL1330739 0.75
SCHEMBL6240262 0.75
SCHEMBL95991 0.75
SCHEMBL6959416 0.75
Phenyl Vinyl Sulfide SCHEMBL1331428 0.75

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-0884311-A2 Triazole Derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1998-12-16 EP disclosed
EP-0194793-A2 9-Acyl tylosin derivatives Omura, Satoshi (JP) 1986-09-17 EP disclosed
EP-0021883-A2 N-acyl-amino acid derivatives and pharmaceutical compositions containing them, intermediates and starting compounds MERRELL TORAUDE ET COMPAGNIE (FR) 1981-01-07 EP disclosed