SCHEMBL7544128

SCHEMBL7544128

ICCCc1ccccc1.[Zn]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
ALOX12 P18054 1/20 0.70
CASP1 P29466 1/20 0.70
HSD17B10 Q99714 1/20 0.70
SIGMAR1 Q99720 5/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
HTR2A P28223 1/20 0.50
IDO1 P14902 1/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL384760 0.97 ALDH1A1 (0.74) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL445067 0.90 ALDH1A1 (0.70) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL282602 0.87 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6683681 0.87 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrochloric Acid SCHEMBL28408129 0.87 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6379725 0.87 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8500856 0.87 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL2112457 0.87 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3625544 0.87 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6680538 0.87 ALDH1A1 (0.67) ALDH1A1HPGDALOX15ALOX12CASP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6482990-B1 Prostaglandin E analogues TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-11-19 US disclosed
EP-1211241-A1 PROSTAGLANDIN E ANALOGUES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-06-05 EP disclosed