SCHEMBL28860673

SCHEMBL28860673

C=C(C)C(=O)NCCO.C=CC(=O)N1CC=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
P2RX4 Q99571 5/20 0.34
KDM4E B2RXH2 2/20 0.32
APEX1 P27695 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28115945 0.81 LMNA (0.39) P2RX4SMN1; SMN2
SCHEMBL1477941 0.69 NOTUM (0.46) MTNR1AMTNR1BP2RX4SMN1; SMN2
SCHEMBL28144791 0.69 P2RX4 (0.37) MTNR1AMTNR1BP2RX4ALDH1A1MAPT
SCHEMBL27785934 0.66 P2RX4 (0.58) MTNR1AMTNR1BP2RX4SMN1; SMN2
SCHEMBL27733597 0.65 NAMPT (0.53) P2RX4
SCHEMBL14888 0.65
SCHEMBL28000717 0.65 RAB9A (0.39) KDM4EMAPTSMN1; SMN2
SCHEMBL29376182 0.65 P2RX4 (0.44) P2RX4SMN1; SMN2
SCHEMBL3375661 0.65 P2RX4 (0.44) P2RX4SMN1; SMN2
SCHEMBL9420574 0.65 LMNA (0.45) P2RX4SMN1; SMN2

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
CN-104449484-B Pressure sensitive adhesive, conducting resin composition and by its adhesive tape obtained and purposes 3M创新有限公司 2018-06-15 CN disclosed