SCHEMBL20049917

SCHEMBL20049917

C=C(OCC(CC)CCCC)/C(=C/c1ccc(OC)cc1)C(=O)OCC(CC)CCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 4/20 0.48
CA2 P00918 1/20 0.48
TSHR P16473 3/20 0.45
LMNA P02545 5/20 0.45
MAPK1 P28482 4/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL63068 0.93 TDP1 (0.67) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL2531606 0.91 TDP1 (0.65) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL8436026 0.90 TDP1 (0.64) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL8436027 0.90 TDP1 (0.64) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL21816547 0.89 TDP1 (0.60) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL17576317 0.88 TDP1 (0.61) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL13078900 0.88 TDP1 (0.61) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL18123566 0.88 TDP1 (0.61) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL904533 0.83 TDP1 (0.64) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL13692709 0.83 TDP1 (0.54) TDP1ALDH1A1CYP3A4CA2TSHR

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
EP-3556748-A1 HYDROXYPHENYL-TRIAZINE UV ABSORBERS BASF SE (DE) 2019-10-23 EP disclosed
WO-2018065341-A1 ULTRAVIOLET RADIATION ABSORBING POLYMER COMPOSITION BASF SE (DE) 2018-04-12 WO disclosed