SCHEMBL11658752

SCHEMBL11658752

O=C1OC(=O)c2cc(C34C=CC(CC3)C4)ccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11801760 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15MAPK1
SCHEMBL9101142 0.77
SCHEMBL455087 0.74 ALOX15 (0.31) ALOX15TDP1
SCHEMBL3683514 0.74 SLC6A4 (0.42)
SCHEMBL1264744 0.71 HTR2C (0.39)
SCHEMBL4258766 0.71 SLC6A2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL11593472 0.70 HSD11B1 (0.40)
Phthalic Anhydride SCHEMBL5135682 0.70 ALOX15 (0.42) ALDH1A1ALOX15TDP1MAPK1SMN1; SMN2
SCHEMBL1012805 0.69 MAOB (0.39)
SCHEMBL27632763 0.68

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-4104325-A Resin composition comprising cyano-substituted norborene polymers blended with graft copolymers SHOWA DENKO K.K. (JP) 1978-08-01 US disclosed
US-4021510-A HIGH IMPACT STRENGTH SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-05-03 US disclosed