SCHEMBL973641

SCHEMBL973641

O=C(O)c1ccc(C(=O)O)c2c1CC2.O=C(O)c1ccc(C(=O)O)c2c1CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.41
XDH P47989 3/20 0.40
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
RXRA P19793 5/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 4/20 0.39
SLC22A12 Q96S37 1/20 0.39
FABP4 P15090 1/20 0.38
TSHR P16473 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL251512 0.97 CYP1A2 (0.57) CYP1A2ALDH1A1ALOX15GFERXDH
SCHEMBL982478 0.95 CYP1A2 (0.55) CYP1A2ALDH1A1ALOX15GFERXDH
Cyclohexane SCHEMBL483378 0.92 CYP1A2 (0.57) CYP1A2ALDH1A1ALOX15GFERSELL
SCHEMBL87519 0.92 CYP1A2 (0.57) CYP1A2ALDH1A1ALOX15GFERXDH
SCHEMBL29769278 0.92 CYP1A2 (0.63) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL21688 0.92 CYP1A2 (0.63) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL3091854 0.90 CYP1A2 (0.55) CYP1A2ALDH1A1ALOX15GFERXDH
SCHEMBL2034342 0.90 CYP1A2 (0.55) CYP1A2ALDH1A1ALOX15GFERXDH
SCHEMBL195800 0.90 CYP1A2 (0.55) CYP1A2ALDH1A1ALOX15GFERXDH
Cyclohexane SCHEMBL1538047 0.90 CYP1A2 (0.55) CYP1A2ALDH1A1ALOX15GFERXDH

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-20110003100-A1 POLYESTER COMPOSITION AND POLYESTER MOLDED ARTICLE COMPRISING THE SAME TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-01-06 US disclosed
US-20090297752-A1 POLYESTER RESIN, POLYESTER RESIN COMPOSITION THEREFROM AND USE THEREOF TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-12-03 US disclosed