SCHEMBL8945048

SCHEMBL8945048

C=COC(CCC)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GLO1 Q04760 1/20 0.34
TSHR P16473 4/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HCAR2 Q8TDS4 1/20 0.31
CHRM1 P11229 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
SCHEMBL28241414 0.87 ALDH1A1 (0.33) ALDH1A1GLO1TSHRCYP2D6CYP2C9
SCHEMBL8945018 0.85 CA1 (0.40) TSHRHPGDNPSR1CHRM1AKR1A1
SCHEMBL7770888 0.84 ALDH1A1 (0.37) ALDH1A1GLO1TSHRCYP2D6CYP2C9
SCHEMBL28618043 0.81 CPB2 (0.38) ALDH1A1GLO1TSHRCYP2D6CYP2C9
SCHEMBL1565230 0.80 CHRM1 (0.43) TSHRHPGDNPSR1CHRM1AKR1A1
SCHEMBL28091198 0.75 ALDH1A1 (0.40) POLBALDH1A1GLO1TSHRCYP2D6
SCHEMBL5199985 0.75 ALDH1A1 (0.40) POLBALDH1A1GLO1TSHRCYP2D6
SCHEMBL8209757 0.75 ALDH1A1 (0.40) POLBALDH1A1GLO1TSHRCYP2D6
SCHEMBL9423501 0.74 ALOX15 (0.41) POLBALDH1A1TSHRCYP2D6CYP2C9
SCHEMBL7770966 0.74 ALDH1A1 (0.39) ALDH1A1TSHRHPGDLMNAHSD17B10

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-5520834-A VINYL ETHERS BASF AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed