SCHEMBL7734313

SCHEMBL7734313

CCC(CC)CCCCCCCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
TSHR P16473 3/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 3/20 0.37
CA2 P00918 2/20 0.35
KDM4E B2RXH2 2/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ATM Q13315 1/20 0.32
CYP2D6 P10635 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 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
SCHEMBL6444137 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL8510139 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL28002011 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL6440542 1.00 ALDH1A1 (0.50) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL1441658 0.97 ALDH1A1 (0.52) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL23877975 0.94 ALDH1A1 (0.50) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL11456210 0.94 ALDH1A1 (0.50) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL682563 0.94 ALDH1A1 (0.50) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL4389600 0.94 ALDH1A1 (0.50) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL9352914 0.92 ALDH1A1 (0.48) ALDH1A1LMNATSHRHSD17B10MEN1

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-6410205-B1 MULTILAYER; SUBSTRATE, PHOTOPOLYMERIZABLE LAYER AND OVECOATINGS AGFA-GEVAERT (BE) 2002-06-25 US disclosed
EP-1085380-A1 Photosensitive recording material provided with a covering layer AGFA-GEVAERT N.V. (BE) 2001-03-21 EP disclosed