SCHEMBL11360356

SCHEMBL11360356

CC#CC(O)C(C)=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C3 P42330 1/20 0.41
FBP1 P09467 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM1A O60341 1/20 0.36
RECQL P46063 1/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL2686402 0.82 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3FBP1NPC1
SCHEMBL11203090 0.79 ALDH1A1 (0.42) ALDH1A1TSHRAKR1C3FBP1NPC1
SCHEMBL11203086 0.79 ALDH1A1 (0.42) ALDH1A1TSHRAKR1C3FBP1NPC1
SCHEMBL14626760 0.74 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3FBP1NPC1
SCHEMBL14626584 0.74 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3FBP1NPC1
SCHEMBL19732123 0.72 NPC1 (0.51) ALDH1A1TSHRAKR1C3FBP1NPC1
SCHEMBL28563539 0.72 ALDH1A1 (0.52) ALDH1A1TSHRAKR1C3FBP1NPC1
SCHEMBL3477350 0.71 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3FBP1NPC1
Hydrogen Peroxide SCHEMBL10779602 0.71 ALDH1A1 (0.50) ALDH1A1TSHRAKR1C3FBP1NPC1
SCHEMBL29253375 0.70 ALDH1A1 (0.48) ALDH1A1TSHRAKR1C3FBP1NPC1

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-4263463-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-04-21 US disclosed
US-4118505-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-10-03 US disclosed
US-4003945-A INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-18 US disclosed