SCHEMBL9716210

SCHEMBL9716210

Cc1ccc(-c2ccc(C)[n+]([O-])c2)c[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4418630 0.87 PTGS2 (0.44) PTGS2L3MBTL1GPR84ALDH1A1
SCHEMBL8470197 0.77 L3MBTL1 (0.41) PTGS2L3MBTL1ALDH1A1
SCHEMBL9455864 0.74
SCHEMBL304451 0.74
SCHEMBL2213459 0.74
SCHEMBL2616426 0.70 TSHR (0.42) L3MBTL1ALDH1A1
SCHEMBL16843294 0.69 L3MBTL1 (0.49) L3MBTL1GPR84
SCHEMBL11116630 0.69 HDAC8 (0.45) L3MBTL1ALDH1A1
SCHEMBL24594123 0.67 L3MBTL1 (0.33) L3MBTL1
SCHEMBL509739 0.65 HTT (0.49) L3MBTL1ALDH1A1

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-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 EP claimed
US-5100768-A Photoresists for integrated circuits, polyvinyl phenol and nitrogen containing heterocycle KABUSHIKI KAISHA TOSHIBA (JP) 1992-03-31 US disclosed
EP-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 EP disclosed