SCHEMBL7064829

SCHEMBL7064829

C=C(C(=O)OCC)C(C)CCN

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.45
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
CASP1 P29466 1/20 0.39
CYP1A2 P05177 1/20 0.37
CPB2 Q96IY4 2/20 0.37
ALOX15 P16050 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL8853585 0.81 CA1 (0.41) ALDH1A1TSHRCASP1MAPTCYP2D6
SCHEMBL18130150 0.80 ALDH1A1 (0.45) ALDH1A1TSHRCASP1ALOX15MAPT
SCHEMBL7879761 0.78 GABRR1 (0.54) GABRR1ALDH1A1CYP1A2CPB2ALOX15
SCHEMBL4639637 0.78 GABRR1 (0.54) GABRR1ALDH1A1CYP1A2CPB2ALOX15
SCHEMBL30360217 0.76 GABRR1 (0.52) GABRR1ALDH1A1CYP1A2CPB2ALOX15
SCHEMBL28212355 0.76 GABRR1 (0.52) GABRR1ALDH1A1CYP1A2CPB2ALOX15
SCHEMBL28212354 0.76 GABRR1 (0.52) GABRR1ALDH1A1CYP1A2CPB2ALOX15
SCHEMBL1492431 0.76 ALDH1A1 (0.45) ALDH1A1TSHRCASP1CYP1A2ALOX15
SCHEMBL3896773 0.76 ALDH1A1 (0.48) ALDH1A1TSHRCASP1ALOX15MAPT
SCHEMBL28448522 0.75 ALDH1A1 (0.44) ALDH1A1TSHRCASP1CYP1A2ALOX15

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
US-20030225239-A1 Michael addition type urethane urea resin, production process therefor, adhesive, production process therefor, coating agent for forming ink receiving layer and recording material TOYO INK MANUFACTURING CO., LTD. (JP) 2003-12-04 US disclosed