SCHEMBL9538604

SCHEMBL9538604

CCOC(=O)C(=O)c1ccc(-c2cc3ccccc3c3ccccc23)nc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.45
PDCD1 Q15116 2/20 0.45
CDC25B P30305 2/20 0.39
BTK Q06187 2/20 0.38
PDCD1LG2 Q9BQ51 6/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PLIN1 O60240 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9533834 0.87 ALDH1A1 (0.52) CD274PDCD1CDC25BPDCD1LG2KDM4E
SCHEMBL9533890 0.84 CD274 (0.46) CD274PDCD1CDC25BBTKPDCD1LG2
SCHEMBL9535007 0.81 MEN1 (0.50) CD274PDCD1CDC25BKDM4EALDH1A1
SCHEMBL9536294 0.79 CD274 (0.42) CD274PDCD1CDC25BBTKPDCD1LG2
SCHEMBL20718975 0.75 CD274 (0.39) CD274PDCD1PDCD1LG2KDM4EALDH1A1
SCHEMBL9535997 0.71 CD274 (0.39) CD274PDCD1BTKPDCD1LG2L3MBTL1
SCHEMBL18070733 0.69 CDC25B (0.49) CDC25BKDM4EALDH1A1HPGDGLA
SCHEMBL9536313 0.69 DHODH (0.42) CD274PDCD1KDM4EALDH1A1HPGD
SCHEMBL27552823 0.69 KDM4E (0.50) CDC25BKDM4EALDH1A1HPGDNPSR1
SCHEMBL697232 0.69 CDC25B (0.63) CDC25BKDM4EALDH1A1HPGDNPSR1

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