SCHEMBL26425372

SCHEMBL26425372

COc1cc(OC)c(OC)cc1/C=C/C(C)C(=O)OC1(c2ccccc2)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
LPAR1 Q92633 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL24944706 0.78 CYP1A2 (0.39) NFE2L2CYP3A4CYP1A2GAACYP2D6
SCHEMBL24944259 0.78 NOS2 (0.40) CYP1A2GAAOPRM1MEN1KMT2A
SCHEMBL24944641 0.75 OPRM1 (0.50) OPRM1ALDH1A1SIGMAR1
SCHEMBL24944281 0.74 KMT2A (0.43) CYP3A4OPRM1ALDH1A1MEN1KMT2A
SCHEMBL26413266 0.73 OPRM1 (0.49) OPRM1ALDH1A1SIGMAR1
SCHEMBL24944576 0.72 OPRM1 (0.48) OPRM1
SCHEMBL26478561 0.72 OPRM1 (0.48) OPRM1
SCHEMBL25475417 0.72 OPRM1 (0.48) OPRM1
SCHEMBL23870803 0.72 OPRM1 (0.48) OPRM1
SCHEMBL24944265 0.72 NFE2L2 (0.50) NFE2L2CYP3A4CYP1A2CYP2D6ALDH1A1

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-20230131303-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-04-27 US disclosed