SCHEMBL9200460

SCHEMBL9200460

CC(=O)N(O)C1CCc2cc(Oc3ccccc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX5 P09917 2/20 0.43
AKR1C3 P42330 1/20 0.42
ALOX5AP P20292 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
P2RX3 P56373 2/20 0.41
P2RX2 Q9UBL9 2/20 0.41

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
SCHEMBL9203514 0.88 ALOX5 (0.46) ALOX5
SCHEMBL9597603 0.84 MTNR1A (0.47) PPARD
SCHEMBL9490580 0.83 GHSR (0.50) ALOX5PTGS1PTGS2
SCHEMBL9597113 0.82 PPARD (0.46) PPARD
SCHEMBL9490649 0.81 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL9597741 0.80 PPARD (0.47) PPARD
SCHEMBL9596948 0.80 PPARD (0.47) PPARDALOX5
SCHEMBL9597410 0.79 ALOX5 (0.41) ALOX5
SCHEMBL9597206 0.79 PPARD (0.43) PPARD
SCHEMBL9201774 0.78 MAOA (0.48)

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-0525111-B1 ANTIINFLAMMATORY HYDROXAMIC ACIDS AND N-HYDROXYUREAS PFIZER (US) 1995-06-14 EP claimed
US-5256789-A Antiinflammatory hydroxamic acids and N-hydroxyureas PFIZER INC. (US) 1993-10-26 US disclosed
EP-0525111-A1 ANTIINFLAMMATORY HYDROXAMIC ACIDS AND N-HYDROXYUREAS. PFIZER (US) 1993-02-03 EP disclosed
WO-1991016298-A1 ANTIINFLAMMATORY HYDROXAMIC ACIDS AND N-HYDROXYUREAS PFIZER INC (US) 1991-10-31 WO disclosed