SCHEMBL8997828

SCHEMBL8997828

CCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC(CC)CCCC)cc3)nc(-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CHRNA7 P36544 7/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
RORC P51449 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA2 P00918 1/20 0.45
SLC2A1 P11166 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL62195 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL13294304 0.88 ALDH1A1 (0.59) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL2969474 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL17212248 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL15344215 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL27034976 0.85 PRSS1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL13852877 0.84 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL18516874 0.84 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL15328854 0.84 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL19735944 0.84 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10TSHR

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-8187575-B2 Triazine derivatives as UV absorbers BASF SE Ludwigshafen (DE) 2012-05-29 US disclosed
US-8187575-B2 Triazine derivatives as UV absorbers BASF SE Ludwigshafen (DE) 2012-05-29 US disclosed