SCHEMBL20032346

SCHEMBL20032346

CC(C)NC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NC(C)C(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
GAA P10253 2/20 0.64
HPGD P15428 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
PKM P14618 1/20 0.52
LMNA P02545 2/20 0.49
PTGS2 P35354 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RCE1 Q9Y256 1/20 0.47

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
SCHEMBL20024729 0.93 MAPT (0.57) SMN1; SMN2GAAHPGDNPSR1ALDH1A1
SCHEMBL15331535 0.86 SMN1; SMN2 (0.68) SMN1; SMN2GAAHPGDNPSR1ALDH1A1
SCHEMBL6539276 0.82 ALDH1A1 (0.64) SMN1; SMN2GAAHPGDNPSR1ALDH1A1
SCHEMBL25556937 0.79 SMN1; SMN2 (0.83) SMN1; SMN2GAAHPGDNPSR1ALDH1A1
SCHEMBL25758742 0.77 ALDH1A1 (0.62) SMN1; SMN2GAAHPGDNPSR1ALDH1A1
SCHEMBL8248742 0.76 SMN1; SMN2 (0.64) SMN1; SMN2GAAHPGDNPSR1ALDH1A1
SCHEMBL8241785 0.76 RAB9A (0.66) SMN1; SMN2GAAHPGDNPSR1ALDH1A1
SCHEMBL10765557 0.76 SMN1; SMN2 (0.63) SMN1; SMN2HPGDALDH1A1MAPTPOLB
SCHEMBL6539272 0.75 LMNA (0.54) SMN1; SMN2GAAHPGDNPSR1ALDH1A1
SCHEMBL6538992 0.75 GAA (0.61) SMN1; SMN2GAAHPGDNPSR1ALDH1A1

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
US-10655029-B2 Inkjet ink and coloring composition RICOH COMPANY, LTD. (JP) 2020-05-19 US disclosed
US-20180094155-A1 INKJET INK AND COLORING COMPOSITION RICOH COMPANY, LTD. (JP) 2018-04-05 US disclosed