SCHEMBL8191123

SCHEMBL8191123

COc1cc(N(CCCO)CCCO)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC16A3 O15427 2/20 0.40
SLC16A1 P53985 2/20 0.40
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 1/20 0.37
S100B P04271 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 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
SCHEMBL9115758 0.95 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL9116712 0.93 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL3315110 0.90 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL5495938 0.88 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL7648720 0.84 S100B (0.52) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6470818 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL8067057 0.83 SLC16A3 (0.41) ALDH1A1HSD17B10TDP1SLC16A3SLC16A1
Hydrochloric Acid SCHEMBL10635279 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL8927925 0.80 TLR8 (0.35) TDP1SLC16A3SLC16A1HTTL3MBTL1
SCHEMBL5500245 0.80 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1SLC16A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726493-B1 Silver halide color photographic material and image forming method using the same FUJI PHOTO FILM CO LTD (JP) 2000-05-31 EP disclosed
US-5985527-A IMAGES AND DYE DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1999-11-16 US disclosed
US-5882847-A SUITABLE FOR RAPID PROCESSING; MAGNETIC RECORDING MEDIA FUJI PHOTO FILM CO., LTD. (JP) 1999-03-16 US disclosed
US-5830627-A CHELATE COMPOUND DEACTIVATED BY CHELATION WITH A METAL, COLOR GRADIENTS FUJI PHOTO FILM CO., LTD. (JP) 1998-11-03 US disclosed
EP-0726493-A2 Silver halide color photographic material and image forming method using the same FUJI PHOTO FILM CO., LTD. (JP) 1996-08-14 EP disclosed
US-5455146-A Method for forming color image FUJI PHOTO FILM CO., LTD. (JP) 1995-10-03 US disclosed