SCHEMBL7811067

SCHEMBL7811067

Cc1nccn1-c1ccc(Sc2cccc(C3(CO)CCOCC3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.70
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2E1 P05181 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
SCHEMBL7802832 0.83 ALOX5 (0.84) ALOX5CYP3A4CYP2D6ALDH1A1MGAM
SCHEMBL332442 0.83 ALOX5 (1.00) ALOX5PIK3CAMTORALDH1A1MGAM
SCHEMBL29405839 0.83 ALOX5 (1.00) ALOX5PIK3CAMTORALDH1A1MGAM
SCHEMBL7809205 0.82 ALOX5 (0.75) ALOX5CYP3A4ALDH1A1MGAMGAA
SCHEMBL6571511 0.82 ALOX5 (0.68) ALOX5CYP3A4PIK3CAMTORALDH1A1
Hydrochloric Acid SCHEMBL8173877 0.82 ALOX5 (0.98) ALOX5ALDH1A1MGAMGAASI
SCHEMBL8191374 0.82 ALOX5 (0.80) ALOX5CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL8191373 0.82 ALOX5 (0.80) ALOX5CYP3A4CYP1A2CYP2D6CYP19A1
SCHEMBL7807420 0.82 ALOX5 (0.77) ALOX5CYP2C19ALDH1A1
SCHEMBL8173639 0.81 ALOX5 (0.80) ALOX5CYP3A4CYP2D6PIK3CAMTOR

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