SCHEMBL10693643

SCHEMBL10693643

O=C(Cc1cccc(OCc2ccc3ccccc3n2)c1Cc1ccccc1)NO

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.47
GPBAR1 Q8TDU6 3/20 0.47
CYSLTR2 Q9NS75 5/20 0.46
ALOX5 P09917 1/20 0.45
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 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
SCHEMBL10695692 0.84 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1
SCHEMBL10696449 0.84 CYSLTR1 (0.48) CYSLTR1GPBAR1CYSLTR2ALOX5HDAC1
SCHEMBL10696181 0.77 ALOX5 (0.69) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7593150 0.76 GPBAR1 (0.56) CYSLTR1GPBAR1CYSLTR2ALOX5FFAR1
SCHEMBL9315704 0.74 CYSLTR1 (0.47) CYSLTR1CYSLTR2
SCHEMBL7921075 0.74 GPBAR1 (0.53) CYSLTR1GPBAR1CYSLTR2ALOX5FFAR1
SCHEMBL10694503 0.73 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2ALOX5FFAR1
SCHEMBL18530698 0.72 HDAC1 (0.61) GPBAR1HDAC1HDAC2
SCHEMBL18530694 0.72 HDAC1 (0.61) GPBAR1HDAC1HDAC2
SCHEMBL9582699 0.71 GPBAR1 (0.63) CYSLTR1GPBAR1CYSLTR2FFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4769461-A Quinolinyl benzene hydroxamic acids as anti-inflammatory/antiallergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-06 US claimed
US-4769461-A Quinolinyl benzene hydroxamic acids as anti-inflammatory/antiallergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-06 US disclosed