SCHEMBL20146705

SCHEMBL20146705

C=CC(=O)N(CCC(=N)OCC(CC)CCCC)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
CYP3A4 P08684 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
RECQL P46063 1/20 0.43
ALDH1A1 P00352 5/20 0.39
CA2 P00918 3/20 0.39
LMNA P02545 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 3/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL20125973 0.88 CYP3A4 (0.58) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20126009 0.81 TSHR (0.58) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20126022 0.81 TSHR (0.58) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20125918 0.81 TSHR (0.58) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20126065 0.79 TSHR (0.59) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20126033 0.79 TSHR (0.56) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20126010 0.77 TSHR (0.59) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20125980 0.76 TSHR (0.62) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20125922 0.73 CYP3A4 (0.61) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20125971 0.72 TSHR (0.63) TSHRCYP3A4TDP1ATMRECQL

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
EP-3321333-A1 CURABLE COMPOSITION, CURABLE INK, ACCOMMODATING CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, CURED MATTER, AND ACRYLAMIDE COMPOUND Ricoh Company Ltd. (JP) 2018-05-16 EP disclosed