SCHEMBL20408461

SCHEMBL20408461

CCC(C)(C)C(=O)Oc1c2ccccc2c(OC)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RIPK1 Q13546 7/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
IDO1 P14902 1/20 0.41
POLB P06746 1/20 0.37
ELANE P08246 1/20 0.36
PTGER4 P35408 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC2A1 P11166 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8737612 0.87 RIPK1 (0.41) KDM4EALDH1A1RIPK1POLBELANE
SCHEMBL15179699 0.84 RIPK1 (0.39) KDM4ERIPK1ELANE
SCHEMBL20408449 0.84 RIPK1 (0.39) KDM4EALDH1A1SMN1; SMN2RIPK1ELANE
SCHEMBL12419165 0.83 RIPK1 (0.43) KDM4EALDH1A1RIPK1CYP1A2ELANE
SCHEMBL15179685 0.82 RIPK1 (0.37) KDM4ESMN1; SMN2RIPK1CYP1A2ELANE
SCHEMBL18135088 0.79 HPGDS (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2C9IDO1
SCHEMBL12385767 0.79 HDAC3 (0.35) KDM4EALDH1A1SMN1; SMN2RIPK1CYP1A2
SCHEMBL15447048 0.78 LMNA (0.45) ALDH1A1MAPK1SMN1; SMN2RIPK1ELANE
SCHEMBL17109940 0.78 CYP1A2 (0.37) KDM4EALDH1A1SMN1; SMN2RIPK1CYP1A2
SCHEMBL16672587 0.77 POLB (0.46) ALDH1A1SMN1; SMN2POLBELANELMNA

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
US-20180210338-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-26 US disclosed