SCHEMBL2878724

SCHEMBL2878724

ClC(Cl)CCc1ccc(CCC(Cl)Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 1/20 0.32
FDFT1 P37268 1/20 0.31
ANPEP P15144 1/20 0.31

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
SCHEMBL10707889 0.87 CYP1A2 (0.50) TAAR1TDP1
SCHEMBL4237177 0.86 ALDH1A1 (0.48) TAAR1KDM4ESMN1; SMN2TSHRTDP1
SCHEMBL2875216 0.82 PPARG (0.38) GFERESR1KDM4EFDFT1
SCHEMBL809721 0.82 ALDH1A1 (0.46) MMP13TSHRTDP1CA2
SCHEMBL19987932 0.82 BDKRB2 (0.42) ESR1ESR2MMP2MMP9MMP12
SCHEMBL2880972 0.80 MAOB (0.39) ESR1KDM4E
SCHEMBL2878727 0.77 SLC6A2 (0.43) TAAR1TSHR
SCHEMBL9503365 0.71 MAOB (0.33) ESR1KDM4E
SCHEMBL2408105 0.71 SIGMAR1 (0.48) SMN1; SMN2MAPK1
SCHEMBL9549434 0.70 IGF1R (0.47) ESR1TAAR1KDM4EFDFT1

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-20100151392-A1 ANTIREFLECTIVE COATING COMPOSITIONS RAHMAN M DALIL 2010-06-17 US disclosed