SCHEMBL9017245

SCHEMBL9017245

CCN(CC)c1ccc(C(=CC=O)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
ALDH3A1 P30838 1/20 0.55
ALDH1A3 P47895 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
RECQL P46063 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.48
PSMD14 O00487 1/20 0.48
GFER P55789 1/20 0.48
MAPT P10636 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 3/20 0.46
POLB P06746 3/20 0.46
NOX1 Q9Y5S8 2/20 0.46
MCL1 Q07820 1/20 0.46
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45

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
SCHEMBL9017223 0.93 ALDH1A1 (0.49) ALDH1A1ALDH3A1ALDH1A3L3MBTL1TSHR
SCHEMBL9813990 0.93 ALDH1A1 (0.49) ALDH1A1ALDH3A1ALDH1A3L3MBTL1TSHR
SCHEMBL9813996 0.93 ALDH1A1 (0.49) ALDH1A1ALDH3A1ALDH1A3L3MBTL1TSHR
SCHEMBL7529618 0.89 MAPT (0.47) ALDH1A1ALDH3A1ALDH1A3L3MBTL1MAPK1
SCHEMBL7529613 0.89 MAPT (0.47) ALDH1A1ALDH3A1ALDH1A3L3MBTL1MAPK1
SCHEMBL14283581 0.88 ALDH1A1 (0.52) ALDH1A1ALDH3A1ALDH1A3L3MBTL1TSHR
SCHEMBL9017228 0.87 TSHR (0.53) ALDH1A1ALDH3A1ALDH1A3TSHRMAPK1
SCHEMBL9017250 0.83 EGFR (0.49) ALDH1A1ALDH3A1ALDH1A3CYP3A4GAA
SCHEMBL8579332 0.81 TDP1 (0.51) ALDH1A1ALDH3A1ALDH1A3L3MBTL1TSHR
SCHEMBL9313510 0.81 ALDH1A1 (0.46) ALDH1A1ALDH3A1ALDH1A3L3MBTL1TSHR

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-5486441-A CHARGE TRANSPORT TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-01-23 US disclosed
US-5463128-A Charge transporting material TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-10-31 US disclosed
US-5229238-A Electroconductive layer with a light sensitive layer and charge generating compound TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-07-20 US disclosed