SCHEMBL7700307

SCHEMBL7700307

CCc1ccc(C=O)c(CC)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
GAA P10253 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
SCHEMBL6901444 0.85 ALDH1A1 (0.31) LMNAMEN1KMT2ATDP1ALDH1A1
SCHEMBL5490363 0.83 SRC (0.35) SRCLMNAMEN1THRBBLM
SCHEMBL6851211 0.82 TDP1 (0.41) LMNAMEN1THRBBLMKMT2A
SCHEMBL28690581 0.79 SRC (0.37) SRCLMNAMEN1THRBBLM
SCHEMBL955154 0.78 ERN1 (0.37) LMNAALDH1A1
SCHEMBL955841 0.78 ALDH1A1 (0.40) LMNAMEN1KMT2ATDP1ALDH1A1
SCHEMBL952797 0.78 ESR1 (0.36) ALDH1A1GAA
SCHEMBL954498 0.78 CYP3A4 (0.38) MEN1KMT2AALDH1A1
SCHEMBL8237028 0.78
SCHEMBL28775677 0.78 GABRA1 (0.45) SRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US disclosed
US-6252009-B1 CROSSLINKING ACRYLONITRILE WITH DIISOCYANATE THE GOODYEAR TIRE & RUBBER COMPANY 2001-06-26 US disclosed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP disclosed