SCHEMBL28005178

SCHEMBL28005178

C=C(C)C(=O)N(CCCC)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.35
MLYCD O95822 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL15974360 0.80 HTT (0.39) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL5114693 0.72 TSHR (0.37) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL27607929 0.72 SMN1; SMN2 (0.41) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL8939927 0.70 HTT (0.38) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL4720873 0.69 LMNA (0.37) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL27626973 0.69 KMT2A (0.35) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL4744925 0.68 POLB (0.42) POLBHTTSMN1; SMN2LMNAALDH1A1
Dimorpholamine SCHEMBL34539 0.68 POLB (0.58) POLBHTTSMN1; SMN2LMNAHPGD
SCHEMBL4719946 0.68 POLB (0.36) POLBHTTSMN1; SMN2LMNAALDH1A1
SCHEMBL4723915 0.68 LMNA (0.40) POLBHTTSMN1; SMN2LMNAALDH1A1

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-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed