SCHEMBL9017250

SCHEMBL9017250

CCCCN(CCCC)c1ccc(C(=CC=O)c2ccc(N(CCCC)CCCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
ERBB2 P04626 2/20 0.49
CNR2 P34972 2/20 0.39
AR P10275 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ALDH3A1 P30838 1/20 0.37
ALDH1A3 P47895 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL9017245 0.83 ALDH1A1 (0.55) ALDH1A1GAAKDM4EPOLBALDH3A1
SCHEMBL9017216 0.80 CHRM2 (0.45) EGFRERBB2CNR2ARALDH1A1
SCHEMBL9017218 0.80 CHRM2 (0.45) EGFRERBB2CNR2ARALDH1A1
SCHEMBL1827424 0.78 EGFR (0.59) EGFRERBB2CNR2ALDH1A1GAA
SCHEMBL9017223 0.77 ALDH1A1 (0.49) CNR2ALDH1A1GAAKDM4EPOLB
SCHEMBL9813990 0.77 ALDH1A1 (0.49) CNR2ALDH1A1GAAKDM4EPOLB
SCHEMBL9813996 0.77 ALDH1A1 (0.49) CNR2ALDH1A1GAAKDM4EPOLB
SCHEMBL7153351 0.76 EGFR (0.50) EGFRERBB2CNR2ARALDH1A1
SCHEMBL472266 0.76 EGFR (0.58) EGFRERBB2CNR2ALDH1A1GAA
SCHEMBL11801129 0.76 EGFR (0.58) EGFRERBB2CNR2ALDH1A1GAA

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 2 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