SCHEMBL20169917

SCHEMBL20169917

CC(C)C1OB(C2=Cc3ccccc3C2)O[C@H]1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.36
ACHE P22303 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTR2A P28223 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL19058619 1.00 PTGS2 (0.36) PTGS2ACHEMAOAMAOBHTR2A
SCHEMBL29606598 0.72 LPL (0.40) PTGS2ACHEMAOAMAOB
SCHEMBL4312526 0.72 LPL (0.40) PTGS2ACHEMAOAMAOB
SCHEMBL15079671 0.70 MAOA (0.34) PTGS2ACHEMAOAMAOB
SCHEMBL15077167 0.66 PTGS2 (0.31) PTGS2
SCHEMBL1577597 0.63 PTGS2 (0.41) PTGS2ACHEMAOAMAOBHTR2A
SCHEMBL30018454 0.63 PTGS2 (0.41) PTGS2ACHEMAOAMAOBHTR2A
SCHEMBL4652068 0.63 PTGS2 (0.41) PTGS2ACHEMAOAMAOBHTR2A
SCHEMBL8031056 0.63 PTGS2 (0.53) PTGS2ACHEMAOAMAOBGPR84
SCHEMBL29370486 0.61 PTGS2 (0.46) PTGS2ACHEMAOAMAOBHTR2A

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-2800753-B1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES SAUDI BASIC IND CORPORATION SABIC (SA) 2018-05-23 EP disclosed