SCHEMBL17030405

SCHEMBL17030405

CC=C1c2ccccc2OC1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
ALDH1A1 P00352 4/20 0.35
NT5E P21589 4/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 2/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL14144959 0.84 POLB (0.40) POLBGABRA1GABRB2ALDH1A1NT5E
SCHEMBL67633 0.80 POLB (0.46) POLBGABRA1GABRB2ALDH1A1MAPT
SCHEMBL12157060 0.78 ALDH1A1 (0.46) POLBGABRA1GABRB2ALDH1A1MAPT
SCHEMBL10310217 0.68 POLB (0.56) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL14950486 0.68 POLB (0.56) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL10385537 0.68 POLB (0.46) POLBGABRA1GABRB2ALDH1A1KDM4E
SCHEMBL11034100 0.68 POLB (0.46) POLBGABRA1GABRB2ALDH1A1KMT2A
SCHEMBL20703758 0.67 PARP1 (0.55) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL15291322 0.67 POLB (0.42) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL7534480 0.66 MEN1 (0.43) ALDH1A1NT5EMAPTMEN1KMT2A

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-2682272-B1 INK JET RECORDING METHOD AND PRINTED MATERIAL FUJIFILM CORP (JP) 2015-08-26 EP disclosed