SCHEMBL9066701

SCHEMBL9066701

C=CCC=C(C)C(=O)OCCN(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 4/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 2/20 0.40
MAOA P21397 1/20 0.40
HTR3A P46098 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP3A4 P08684 2/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 3/20 0.38
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
CHRM1 P11229 2/20 0.38

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
SCHEMBL28947296 0.83 LMNA (0.41) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL10764193 0.82 TSHR (0.38) POLBLMNACYP2D6TSHRALDH1A1
SCHEMBL25412762 0.81 LMNA (0.39) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL1128073 0.81 LMNA (0.39) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL1060297 0.80 LMNA (0.42) MEN1POLBKMT2ALMNACYP2D6
SCHEMBL8971295 0.79 TSHR (0.50) LMNACYP2D6TSHRCYP1A2CYP3A4
SCHEMBL7758552 0.78 TSHR (0.44) CYP2D6TSHRCYP2C19
SCHEMBL7758545 0.78 TSHR (0.44) CYP2D6TSHRCYP2C19
SCHEMBL6909255 0.78 THRB (0.35) CYP2D6TSHRALDH1A1CYP2C19
SCHEMBL2788636 0.78 GAA (0.40) MEN1KMT2ALMNACYP2D6TSHR

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-0465835-B1 Anionic living polymers, their derivatives and composition comprising them DAINIPPON INK & CHEMICALS (JP) 1996-05-01 EP disclosed