SCHEMBL7006240

SCHEMBL7006240

O=C(O)[C@@H]1C[C@H]1c1cccc(Oc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.62
ALOX5 P09917 2/20 0.55
KCNH2 Q12809 1/20 0.49
SLC9A1 P19634 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
AKR1C3 P42330 1/20 0.47
HDAC4 P56524 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9385280 1.00 FFAR1 (0.62) FFAR1ALOX5KCNH2SLC9A1FFAR4
SCHEMBL2778222 0.85 FFAR1 (0.62) FFAR1KCNH2SLC9A1HDAC4NPC1
SCHEMBL2778223 0.85 FFAR1 (0.62) FFAR1KCNH2SLC9A1HDAC4NPC1
SCHEMBL24737951 0.84 SLC9A1 (0.67) FFAR1SLC9A1
SCHEMBL21501023 0.84 SLC9A1 (0.67) FFAR1SLC9A1
SCHEMBL7003208 0.84 SLC9A1 (0.67) FFAR1SLC9A1
SCHEMBL10288769 0.84 SLC9A1 (0.67) FFAR1SLC9A1
SCHEMBL7003204 0.84 SLC9A1 (0.67) FFAR1SLC9A1
SCHEMBL1207144 0.84 SLC9A1 (0.67) FFAR1SLC9A1
SCHEMBL2136314 0.82 SLC9A1 (0.47) FFAR1ALOX5SLC9A1HDAC4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 US disclosed
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed