SCHEMBL20050122

SCHEMBL20050122

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 3/20 0.40
HSP90AA1 P07900 2/20 0.40
HPGD P15428 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL8734497 0.92 KMT2A (0.48) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL22365540 0.91 MAPT (0.41) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL23204862 0.89 KMT2A (0.45) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL21514715 0.89 KMT2A (0.45) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL19450577 0.86 TDP1 (0.44) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL20049917 0.82 TDP1 (0.62) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL17576317 0.82 TDP1 (0.61) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL12869956 0.81 NR1H4 (0.51) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL17576050 0.79 MEN1 (0.54) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL12869955 0.79 MAPT (0.50) MAPTKMT2AMEN1LMNANPSR1

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
WO-2018065341-A1 ULTRAVIOLET RADIATION ABSORBING POLYMER COMPOSITION BASF SE (DE) 2018-04-12 WO disclosed