SCHEMBL6323002

SCHEMBL6323002

CC(C)Cc1cccc(Oc2cccc(N)c2N)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CETP P11597 1/20 0.37
RCE1 Q9Y256 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PNMT P11086 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
AOC3 Q16853 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL6333313 0.85 SLC6A4 (0.41) TAAR1GAAALDH1A1RCE1
SCHEMBL9538055 0.81 TAAR1 (0.56) TAAR1ALDH1A1CETPPNMTKDM4E
SCHEMBL6331625 0.80 ALDH1A1 (0.45) TAAR1GAAALDH1A1RCE1L3MBTL1
SCHEMBL6141193 0.79 ALDH1A1 (0.56) GAAALDH1A1RCE1L3MBTL1MEN1
SCHEMBL6333307 0.79 GAA (0.37) TAAR1GAAALDH1A1CETPRCE1
SCHEMBL6322998 0.78 ALDH1A1 (0.44) TAAR1GAAALDH1A1
SCHEMBL8252058 0.78 FDFT1 (0.49) TAAR1ALDH1A1CETPKDM4EMEN1
SCHEMBL6330909 0.78 ALDH1A1 (0.43) GAAALDH1A1RCE1L3MBTL1KDM4E
SCHEMBL8174800 0.76 CETP (0.54) TAAR1ALDH1A1CETPKDM4E
SCHEMBL4532767 0.75 ALDH1A1 (0.55) TAAR1GAAALDH1A1RCE1L3MBTL1

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-20050272608-A1 Polyimide metal laminate and its production method MITSUI CHEMICALS, INC. (JP) 2005-12-08 US disclosed