SCHEMBL28035973

SCHEMBL28035973

CC(C(=O)C(Cc1ccccc1)(c1ccccc1)N1CCOCC1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KCNA5 P22460 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
LMNA P02545 3/20 0.38
FKBP1A P62942 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MLYCD O95822 1/20 0.36
CHRM1 P11229 3/20 0.36
CYP3A4 P08684 1/20 0.36
HIF1A Q16665 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL28235296 0.69 SMN1; SMN2 (0.45) SMN1; SMN2KCNA5OPRM1OPRD1LMNA
SCHEMBL29097432 0.69 ALDH1A1 (0.50) SMN1; SMN2LMNAFKBP1APOLBALDH1A1
SCHEMBL11452360 0.69 FKBP1A (0.49) SMN1; SMN2LMNAFKBP1APOLBALDH1A1
SCHEMBL18765527 0.68 OPRM1 (0.49) SMN1; SMN2OPRM1OPRD1LMNAMEN1
SCHEMBL9130909 0.67 KMT2A (0.49) SMN1; SMN2LMNAFKBP1AALDH1A1MAPT
SCHEMBL9130890 0.67 KMT2A (0.46) SMN1; SMN2LMNAFKBP1APOLBALDH1A1
SCHEMBL28065443 0.67 SLC6A2 (0.57) OPRM1OPRD1
SCHEMBL21798998 0.67 ALDH1A1 (0.45) SMN1; SMN2LMNAFKBP1AALDH1A1MAPT
SCHEMBL5617340 0.67 FKBP1A (0.51) SMN1; SMN2LMNAFKBP1APOLBALDH1A1
SCHEMBL2307169 0.65 SMN1; SMN2 (0.56) SMN1; SMN2FKBP1AALDH1A1MAPTMEN1

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
CN-105086601-A LED-UV offset printing ink and preparation method therefor and use thereof BEIJING JINHONGYING TECHNOLOGY CO LTD 2015-11-25 CN claimed
CN-105086601-A LED-UV offset printing ink and preparation method therefor and use thereof BEIJING JINHONGYING TECHNOLOGY CO LTD 2015-11-25 CN disclosed