SCHEMBL7809205

SCHEMBL7809205

Cc1nccn1-c1ccc(Sc2cccc(C3(C=O)CCOCC3)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.75
ALDH1A1 P00352 1/20 0.41
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL8191373 0.88 ALOX5 (0.80) ALOX5ALDH1A1MGAMGAASI
SCHEMBL8191374 0.88 ALOX5 (0.80) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7810933 0.86 ALOX5 (1.00) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7810932 0.86 ALOX5 (1.00) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7802832 0.83 ALOX5 (0.84) ALOX5ALDH1A1MGAMGAASI
SCHEMBL332442 0.83 ALOX5 (1.00) ALOX5ALDH1A1MGAMGAASI
SCHEMBL29405839 0.83 ALOX5 (1.00) ALOX5ALDH1A1MGAMGAASI
SCHEMBL6571511 0.82 ALOX5 (0.68) ALOX5ALDH1A1MGAMGAASI
SCHEMBL7811067 0.82 ALOX5 (0.70) ALOX5ALDH1A1MGAMGAASI
Hydrochloric Acid SCHEMBL8173877 0.82 ALOX5 (0.98) ALOX5ALDH1A1MGAMGAASI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed