SCHEMBL10064026

SCHEMBL10064026

C=C(OCC)C(C)(Cl)C(=C)OCC

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 1/20 0.37
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SOAT1 P35610 1/20 0.31
MAPT P10636 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
SCHEMBL9498044 0.78
SCHEMBL800000 0.74 ALDH1A1 (0.33) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL3332911 0.74
SCHEMBL8335275 0.70
SCHEMBL9766511 0.70 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHSD17B10ATM
SCHEMBL17620031 0.70 ALOX15 (0.33) ALDH1A1TSHRALOX15
SCHEMBL620922 0.70 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL8071709 0.69 ALDH1A1 (0.31) ALDH1A1TRPA1LMNAHSD17B10
SCHEMBL12148045 0.69 ALDH1A1 (0.44) ALDH1A1TSHRTRPA1LMNAHSD17B10
SCHEMBL9746477 0.69 ALDH1A1 (0.52) ALDH1A1TSHRTRPA1LMNAHSD17B10

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
WO-2012087535-A1 CATALYST COMPOSITION WITH HALO-MALONATE INTERNAL ELECTRON DONOR AND POLYMER FROM SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-28 WO disclosed