SCHEMBL9370537

SCHEMBL9370537

O=C1C(c2ccc(-c3ccccc3)cc2)=C(O)CN1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
PTGS1 P23219 8/20 0.52
PTGS2 P35354 8/20 0.52
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9367490 0.97 POLB (0.65) POLBPTGS1PTGS2LMNAALDH1A1
SCHEMBL9369861 0.89 POLB (0.53) POLBPTGS1PTGS2LMNAALDH1A1
SCHEMBL9367013 0.86 POLB (0.50) POLBPTGS1PTGS2LMNAALDH1A1
SCHEMBL9366255 0.85 PTGS1 (0.56) POLBPTGS1PTGS2LMNANPC1
SCHEMBL9372003 0.85 PTGS1 (0.61) POLBPTGS1PTGS2ALDH1A1MAPT
SCHEMBL9371990 0.83 POLB (0.47) POLBPTGS1PTGS2LMNAALDH1A1
SCHEMBL9367737 0.81 GSTP1 (0.48) POLBPTGS1PTGS2LMNAMAPT
SCHEMBL9371933 0.78 POLB (0.42) POLBPTGS1PTGS2LMNAALDH1A1
SCHEMBL14516372 0.77 PTGS1 (0.73) POLBPTGS1PTGS2NPC1RAB9A
SCHEMBL9371813 0.77 HSP90AA1 (0.46) POLBPTGS1PTGS2LMNAALDH1A1

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