SCHEMBL28062026

SCHEMBL28062026

C=CCNC(=O)C=C.C=CCOCC=C.CCOC(=O)CO

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 2/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 1/20 0.33
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.30
TRPA1 O75762 1/20 0.30
GSTO1 P78417 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
Glycolic Acid SCHEMBL3262545 0.82 TSHR (0.41) ALDH1A1GAATSHRTDP1MAPK1
Acrylic Acid Ethyl Ester SCHEMBL10931301 0.73 HCAR2 (0.42) ALDH1A1NPSR1TSHRTDP1MAPK1
SCHEMBL11326346 0.72 TSHR (0.48) ALDH1A1TSHRTDP1MAPK1ZDHHC20
Methoxymethane SCHEMBL27789567 0.72 GAA (0.42) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL30851 0.72
Ether SCHEMBL9617742 0.71 TSHR (0.50) ALDH1A1NPSR1GAAMGAMSI
SCHEMBL4808647 0.71 GAA (0.52) ALDH1A1GAAMGAMSIMGAM2
Glycolic Acid SCHEMBL9488455 0.70 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MAPK1ZDHHC20
Acrylic Acid SCHEMBL28294698 0.70 TSHR (0.42) ALDH1A1TSHRTDP1MAPK1ZDHHC20
Dimethylamine SCHEMBL3821887 0.70 TSHR (0.54) ALDH1A1TSHRTDP1MAPK1ZDHHC20

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431495-B The method for producing electrostatic ink composition 惠普印迪戈股份公司 2018-02-13 CN disclosed
CN-107532029-A E-inks composition 惠普深蓝有限责任公司 2018-01-02 CN disclosed
CN-105431495-A Method of producing an electrostatic ink composition HEWLETT PACKARD INDIGO BV 2016-03-23 CN disclosed