SCHEMBL15079671

SCHEMBL15079671

C=C1OB(C2=Cc3ccccc3C2)OC1=C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
PTGS2 P35354 1/20 0.33
TRPA1 O75762 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL15077167 0.77 PTGS2 (0.31) PTGS2
SCHEMBL29606598 0.74 LPL (0.40) MAOAMAOBCYP11B2CYP11B1PTGS2
SCHEMBL4312526 0.74 LPL (0.40) MAOAMAOBCYP11B2CYP11B1PTGS2
SCHEMBL20169917 0.70 PTGS2 (0.36) MAOAMAOBPTGS2ACHE
SCHEMBL19058619 0.70 PTGS2 (0.36) MAOAMAOBPTGS2ACHE
SCHEMBL13662372 0.63 MAOA (0.42) MAOAMAOBCYP11B2CYP11B1PTGS2
SCHEMBL348044 0.63 MAOA (0.42) MAOAMAOBCYP11B2CYP11B1PTGS2
SCHEMBL30664496 0.62 PTGS2 (0.57) MAOAMAOBCYP11B2CYP11B1PTGS2
SCHEMBL7205941 0.62 PTGS2 (0.57) MAOAMAOBCYP11B2CYP11B1PTGS2
Hydrochloric Acid SCHEMBL30175978 0.62 CYP11B2 (0.43) MAOAMAOBCYP11B2CYP11B1PTGS2

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-2800754-B1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES SAUDI BASIC IND CORP (SABIC) (SA) 2017-06-28 EP disclosed
WO-2013091836-A1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) 2013-06-27 WO disclosed