SCHEMBL9115758

SCHEMBL9115758

COc1cc(N(CCCCO)CCCCO)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC16A3 O15427 2/20 0.41
SLC16A1 P53985 2/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APP P05067 1/20 0.36
S100B P04271 1/20 0.36

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
SCHEMBL9116712 0.97 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL8191123 0.95 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL5495938 0.93 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL3315110 0.89 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7648720 0.88 S100B (0.52) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL8927925 0.84 TLR8 (0.35) TDP1SLC16A3SLC16A1MTNR1AMTNR1B
SCHEMBL5500245 0.84 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1SLC16A3
SCHEMBL9116709 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6470818 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHSD17B10TDP1
Hydrochloric Acid SCHEMBL10635279 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHSD17B10TDP1

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-5455146-A Method for forming color image FUJI PHOTO FILM CO., LTD. (JP) 1995-10-03 US disclosed