SCHEMBL6903174

SCHEMBL6903174

CC(C)(C)c1ccc(C=O)c(F)c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL180678 0.77 ERN1 (0.39) PTGS1PTGS2MEN1BLMKMT2A
SCHEMBL18199879 0.74 KIF11 (0.33) MEN1LMNATHRBBLMKMT2A
SCHEMBL8132797 0.74 CA1 (0.43) LMNATDP1
SCHEMBL28155707 0.74 TDP1 (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL3429509 0.73 CA2 (0.43) PTGS1PTGS2MEN1BLMKMT2A
SCHEMBL23772021 0.73 CES2 (0.33) PTGS1PTGS2TDP1
SCHEMBL17261584 0.72 TDP1 (0.42) MEN1LMNATHRBBLMKMT2A
SCHEMBL28196487 0.72 ALDH1A1 (0.36) MEN1KMT2ATDP1
SCHEMBL31306390 0.71 TDP1 (0.47) MEN1LMNATHRBBLMKMT2A
SCHEMBL1806887 0.71 TDP1 (0.47) MEN1LMNATHRBBLMKMT2A

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-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO disclosed