SCHEMBL7811090

SCHEMBL7811090

NC(=O)C1(c2cccc(O)c2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL3508656 0.89 PARP1 (0.46) LMNAPARP1DRD3
SCHEMBL7802441 0.85 LMNA (0.53) LMNAPARP1DRD3
SCHEMBL9137176 0.84 ALOX5 (0.47) ALOX5ALDH1A1LMNATSHRNPSR1
SCHEMBL332753 0.83 ALOX5 (0.50) ALOX5ALDH1A1LMNATSHRNPSR1
SCHEMBL2702973 0.83 ALOX5 (0.50) ALOX5ALDH1A1LMNATSHRNPSR1
SCHEMBL19710855 0.83 HDAC4 (0.51) ALOX5ALDH1A1LMNATSHRNPSR1
SCHEMBL2703559 0.82 ALDH1A1 (0.58) ALOX5ALDH1A1LMNATSHRNPSR1
SCHEMBL27078112 0.81 CYP2C19 (0.45) ALOX5ALDH1A1LMNATSHRDRD3
SCHEMBL29731283 0.81 CYP2C19 (0.45) ALOX5ALDH1A1LMNATSHRDRD3
SCHEMBL19701993 0.80 ALOX5 (0.47) ALOX5ALDH1A1LMNATSHRNPSR1

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 3 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
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 — — US disclosed
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