SCHEMBL9017115

SCHEMBL9017115

CCCCCCCC[CH]CC1CO1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 1/20 0.46
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
ENPP2 Q13822 8/20 0.36
LPAR2 Q9HBW0 5/20 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
SCHEMBL9017069 1.00 ALDH1A1 (0.54) ALDH1A1TDP1EPHX1SMN1; SMN2TSHR
SCHEMBL501328 1.00 ALDH1A1 (0.54) ALDH1A1TDP1EPHX1SMN1; SMN2TSHR
SCHEMBL16774607 1.00 ALDH1A1 (0.54) ALDH1A1TDP1EPHX1SMN1; SMN2TSHR
SCHEMBL2803810 0.98 ALDH1A1 (0.50) ALDH1A1TDP1EPHX1SMN1; SMN2TSHR
SCHEMBL29046151 0.94 ALDH1A1 (0.48) ALDH1A1TSHRENPP2LPAR2
SCHEMBL2803719 0.91
SCHEMBL5531293 0.84 EPHX1 (0.57) ALDH1A1TDP1EPHX1SMN1; SMN2TSHR
SCHEMBL858459 0.84 EPHX1 (0.57) ALDH1A1TDP1EPHX1SMN1; SMN2TSHR
SCHEMBL5382779 0.84 EPHX1 (0.57) ALDH1A1TDP1EPHX1SMN1; SMN2TSHR
SCHEMBL2800934 0.82

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
EP-0704437-A2 Red-shifted tris-aryl-s-triazines and compositions stabilized therewith CIBA-GEIGY AG (CH) 1996-04-03 EP disclosed