SCHEMBL9367013

SCHEMBL9367013

O=C1C(c2ccc(Oc3ccccc3)cc2)=C(O)CN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CTSG P08311 2/20 0.45
CMA1 P23946 2/20 0.45
MGLL Q99685 1/20 0.43
PLCG1 P19174 1/20 0.43
LMNA P02545 1/20 0.42
GSTP1 P09211 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LTA4H P09960 1/20 0.40
NR1H2 P55055 1/20 0.40
BAX Q07812 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
SCHEMBL9371933 0.91 POLB (0.42) POLBPTGS1PTGS2ALDH1A1MAPT
SCHEMBL9370391 0.88 CYP11B2 (0.47) POLBPTGS1PTGS2ALDH1A1MAPT
SCHEMBL9366870 0.88 PTGS2 (0.41) POLBPTGS1PTGS2ALDH1A1MAPT
SCHEMBL9372003 0.87 PTGS1 (0.61) POLBPTGS1PTGS2ALDH1A1MAPT
SCHEMBL9370537 0.86 POLB (0.61) POLBPTGS1PTGS2ALDH1A1MAPT
SCHEMBL9367490 0.86 POLB (0.65) POLBPTGS1PTGS2ALDH1A1MAPT
SCHEMBL9372089 0.86 PTGS1 (0.42) POLBPTGS1PTGS2ALDH1A1MAPT
SCHEMBL9369861 0.82 POLB (0.53) POLBPTGS1PTGS2ALDH1A1MAPT
SCHEMBL9366590 0.80 PTGS1 (0.46) PTGS1PTGS2CTSGCMA1MGLL
SCHEMBL9371990 0.80 POLB (0.47) POLBPTGS1PTGS2ALDH1A1MAPT

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 1 patent. 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