SCHEMBL7809017

SCHEMBL7809017

NC(=O)C1(c2cccc(Sc3ccc(Cn4cccc4)cc3)c2)CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 1.00
PIK3CD O00329 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTPN11 Q06124 1/20 0.32
CYP26A1 O43174 1/20 0.31

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
SCHEMBL7807554 0.91 ALOX5 (0.83) ALOX5HDAC1HDAC6ALDH1A1LMNA
SCHEMBL7807582 0.85 ALOX5 (0.74) ALOX5OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7814848 0.83 ALOX5 (1.00) ALOX5OPRM1OPRD1OPRK1LMNA
SCHEMBL7654887 0.81 ALOX5 (0.68) ALOX5PIK3CDHDAC1HDAC6HRH3
SCHEMBL332226 0.79 ALOX5 (0.66) ALOX5PIK3CDHDAC1HRH3ALDH1A1
SCHEMBL9440523 0.79 ALOX5 (0.65) ALOX5
SCHEMBL332479 0.79 ALOX5 (0.65) ALOX5PIK3CDHRH3ALDH1A1LMNA
SCHEMBL8166180 0.78 ALOX5 (0.67) ALOX5PIK3CDHRH3ALDH1A1LMNA
SCHEMBL7656075 0.78 ALOX5 (0.69) ALOX5PIK3CDALDH1A1LMNATSHR
SCHEMBL7653236 0.77 ALOX5 (0.68) ALOX5PIK3CDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP claimed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP claimed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO claimed
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