SCHEMBL19987609

SCHEMBL19987609

CCCC(CCN)CC1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
METAP2 P50579 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRM1 Q13255 1/20 0.33
CPB2 Q96IY4 2/20 0.32

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
SCHEMBL26428815 0.87 ALDH1A1 (0.44) CYP1A2SIGMAR1ALDH1A1KMT2AMETAP2
SCHEMBL28595929 0.86 CYP1A2 (0.44) CYP1A2ALDH1A1KMT2AMETAP2
SCHEMBL25111365 0.84 NOS1 (0.40) CYP1A2SIGMAR1ALDH1A1KMT2ACPB2
SCHEMBL19892102 0.82 CYP1A2 (0.41) CYP1A2ALDH1A1KMT2AMETAP2
SCHEMBL11001369 0.81 CYP1A2 (0.38) CYP1A2ALDH1A1KMT2AMETAP2
SCHEMBL10997682 0.81 CYP1A2 (0.38) CYP1A2ALDH1A1KMT2AMETAP2
SCHEMBL13479304 0.79
SCHEMBL11003889 0.78 CYP1A2 (0.39) CYP1A2ALDH1A1KMT2AMETAP2
SCHEMBL10998666 0.78 CYP1A2 (0.34) CYP1A2ALDH1A1KMT2AMETAP2
SCHEMBL11003542 0.78 CYP1A2 (0.39) CYP1A2ALDH1A1KMT2AMETAP2

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-20180082832-A1 APPARATUS AND METHOD OF TREATING SURFACE OF SEMICONDUCTOR SUBSTRATE TOSHIBA MEMORY CORPORATION (JP) 2018-03-22 US disclosed