SCHEMBL8996775

SCHEMBL8996775

C(=Cc1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
TRPA1 O75762 3/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
NFE2L2 Q16236 2/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.37
IDO1 P14902 2/20 0.36
KIF11 P52732 1/20 0.36
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL28560204 0.79 MAPK1 (0.50) MAOBTRPA1ALDH1A1NFE2L2MAPK1
SCHEMBL11563303 0.77 KIF11 (0.39) MAOBTRPA1ALDH1A1LMNAMAPK1
SCHEMBL2723539 0.76 MAOB (0.44) MAOBTRPA1ALDH1A1LMNANFE2L2
SCHEMBL7770617 0.76 MAOB (0.44) MAOBTRPA1ALDH1A1NFE2L2CYP1A2
SCHEMBL2723536 0.76 MAOB (0.44) MAOBTRPA1ALDH1A1LMNANFE2L2
SCHEMBL187273 0.76 MAOB (0.44) MAOBTRPA1ALDH1A1NFE2L2CYP1A2
SCHEMBL9564566 0.71 KIF11 (0.47) MAPK1IDO1KIF11CYP2C9SMN1; SMN2
SCHEMBL175339 0.71 MAOB (0.55) MAOBTRPA1ALDH1A1LMNANFE2L2
SCHEMBL367481 0.71 MAOB (0.55) MAOBTRPA1ALDH1A1LMNANFE2L2
SCHEMBL175340 0.71 MAOB (0.55) MAOBTRPA1ALDH1A1LMNANFE2L2

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
EP-0605856-B1 Process for the manufacture of p-hydroxystyrene polymers and use thereof BASF AG (DE) 1996-08-28 EP disclosed
EP-0605856-A2 Process for the manufacture of p-hydroxystyrene polymers and use thereof BASF Aktiengesellschaft (DE) 1994-07-13 EP disclosed