SCHEMBL9535997

SCHEMBL9535997

COc1nc(-c2cc3ccccc3c3ccccc23)ccc1C(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 14/20 0.39
PDCD1LG2 Q9BQ51 12/20 0.39
BTK Q06187 1/20 0.38
PDCD1 Q15116 2/20 0.37
SQOR Q9Y6N5 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9536049 0.86 KDM4E (0.49) CD274PDCD1LG2PDCD1
SCHEMBL9536294 0.86 CD274 (0.42) CD274PDCD1LG2BTKPDCD1L3MBTL1
SCHEMBL9535376 0.79 ALPL (0.43)
SCHEMBL9533890 0.78 CD274 (0.46) CD274PDCD1LG2BTKPDCD1SQOR
SCHEMBL9537762 0.74 KDM4E (0.49) CD274PDCD1LG2PDCD1
SCHEMBL9537527 0.73 CD274 (0.47) CD274PDCD1LG2PDCD1
SCHEMBL9538604 0.71 CD274 (0.45) CD274PDCD1LG2BTKPDCD1L3MBTL1
SCHEMBL9535637 0.68 PTGER3 (0.39)
SCHEMBL9754460 0.67 KDM4E (0.43) BTKL3MBTL1
SCHEMBL9534377 0.66 MEN1 (0.42) CD274PDCD1LG2L3MBTL1

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
EP-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed