SCHEMBL7809211

SCHEMBL7809211

CCOC(=O)C1(c2cc(O)cc(F)c2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.49
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5 P09917 1/20 0.43
OPRD1 P41143 4/20 0.43
OPRK1 P41145 4/20 0.43
SLC22A1 O15245 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL7809125 0.99 OPRM1 (0.48) OPRM1LMNATSHRNPSR1TDP1
SCHEMBL1600273 0.88 ALOX5 (0.55) OPRM1LMNATSHRNPSR1TDP1
SCHEMBL7811102 0.79 ALOX5 (0.58) OPRM1LMNATSHRNPSR1TDP1
SCHEMBL3990760 0.78 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL7810991 0.78 ALOX5 (0.57) OPRM1LMNATSHRNPSR1TDP1
SCHEMBL30477031 0.74 LMNA (0.58) OPRM1LMNATSHRNPSR1TDP1
SCHEMBL4830534 0.74 HDAC4 (0.43) LMNATSHRNPSR1TDP1
SCHEMBL18031485 0.73 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL24220122 0.73 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6660823 0.73 OPRM1 (0.75) OPRM1LMNATSHRTDP1OPRD1

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 5 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
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