SCHEMBL9397802

SCHEMBL9397802

CCC(C(N)=O)(c1ccccc1O)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KIF11 P52732 1/20 0.38
KMT2A Q03164 1/20 0.37
CHRM3 P20309 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
KCNH2 Q12809 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL5163394 0.83 ALDH1A1 (0.47) TSHRALDH1A1TDP1KDM4EHPGD
SCHEMBL448585 0.81 TSHR (0.45) TSHRALDH1A1TDP1MAPTKDM4E
SCHEMBL5898610 0.80 NOS3 (0.43) ALDH1A1KDM4EKMT2ALMNAKCNN4
SCHEMBL9397841 0.75 PTGS2 (0.44) TSHRALDH1A1TDP1KDM4EHPGD
SCHEMBL449378 0.75 ALDH1A1 (0.56) TSHRALDH1A1TDP1MAPTKDM4E
SCHEMBL4030430 0.75 MAPT (0.55) TSHRTDP1MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL5252883 0.73 MAPT (0.53) TSHRTDP1MAPTKDM4EKMT2A
SCHEMBL3793995 0.73 ALDH1A1 (0.44) TSHRALDH1A1TDP1MAPTKDM4E
SCHEMBL1822446 0.72 TSHR (0.52) TSHRALDH1A1TDP1MAPTKDM4E
SCHEMBL6672227 0.72 TSHR (0.52) TSHRALDH1A1TDP1MAPTKDM4E

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
US-5357033-A Forming polyetherimmides having non-symmetrical polar radicals GENERAL ELECTRIC COMPANY (US) 1994-10-18 US disclosed