SCHEMBL9011882

SCHEMBL9011882

COC(=O)Cc1ccccc1C=O.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SRC P12931 1/20 0.39
NFE2L2 Q16236 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39

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
SCHEMBL4893812 0.98 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5283277 0.83 KDM4E (0.43) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL6517024 0.81 TSHR (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL2038938 0.81 PKM (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL26075997 0.81 KDM4E (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1554320 0.81 KDM4E (0.53) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL9016430 0.80 USP2 (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5026445 0.80 KDM4E (0.42) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL9775462 0.79 TRPA1 (0.47) ALDH1A1KDM4EMAPTLMNANFE2L2
SCHEMBL9775463 0.79 TRPA1 (0.47) ALDH1A1KDM4EMAPTLMNANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994006737-A1 PROCESS FOR PREPARING FELBAMATE, 2-PHENYL-1,3-PROPANEDIOL AND INTERMEDIATES SCHERING CORPORATION (US) 1994-03-31 WO claimed
US-5492930-A ADMINISTERING 2-PHENYL-1,3-PROPANEDIOL MONOCARBAMATE SCHERING CORPORATION (US) 1996-02-20 US disclosed
WO-1994027941-A1 PROCESS FOR PREPARING FELBAMATE AND INTERMEDIATES THERETO AVONDALE CHEMICAL COMPANY (IE) 1994-12-08 WO disclosed
WO-1994006737-A1 PROCESS FOR PREPARING FELBAMATE, 2-PHENYL-1,3-PROPANEDIOL AND INTERMEDIATES SCHERING CORPORATION (US) 1994-03-31 WO disclosed