SCHEMBL9367490

SCHEMBL9367490

O=C1C(c2ccccc2)=C(O)CN1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
LMNA P02545 1/20 0.53
PTGS1 P23219 7/20 0.51
PTGS2 P35354 7/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9370537 0.97 POLB (0.61) POLBLMNAPTGS1PTGS2RAB9A
SCHEMBL9369861 0.89 POLB (0.53) POLBLMNAPTGS1PTGS2RAB9A
SCHEMBL9367013 0.86 POLB (0.50) POLBLMNAPTGS1PTGS2RAB9A
SCHEMBL9366255 0.85 PTGS1 (0.56) POLBLMNAPTGS1PTGS2RAB9A
SCHEMBL9372003 0.85 PTGS1 (0.61) POLBPTGS1PTGS2RAB9ANPC1
SCHEMBL9371990 0.83 POLB (0.47) POLBLMNAPTGS1PTGS2RAB9A
SCHEMBL9367737 0.81 GSTP1 (0.48) POLBLMNAPTGS1PTGS2RAB9A
SCHEMBL14516372 0.80 PTGS1 (0.73) POLBPTGS1PTGS2RAB9ANPC1
SCHEMBL9371933 0.78 POLB (0.42) POLBLMNAPTGS1PTGS2ALDH1A1
SCHEMBL9371813 0.77 HSP90AA1 (0.46) POLBLMNAPTGS1PTGS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409163-B1 Novel cyclic vinylogous N-hydroxy-N-methylureas useful as 5-lipoxygenase inhibitors MERRELL DOW PHARMA (US) 1994-12-21 EP disclosed
US-5109010-A Lipoxygenase inhibitor; antiasthmic, antiarthritic agent MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-28 US disclosed
US-5026861-A Antiarthritic asthma agent, lipoxygenase inhibitors MERRELL DOW PHARMACEUTICALS (US) 1991-06-25 US disclosed
EP-0409163-A2 Novel cyclic vinylogous N-hydroxy-N-methylureas useful as 5-lipoxygenase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-23 EP disclosed