SCHEMBL16612904

SCHEMBL16612904

CC(C)[CH]CC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.40
HCAR2 Q8TDS4 1/20 0.37
CYP2D6 P10635 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX2 P34913 1/20 0.30
AGTR1 P30556 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
SCHEMBL29433283 0.80 LMNA (0.45) LMNATSHRHCAR2CYP2D6MAPT
SCHEMBL15061161 0.78
SCHEMBL4904518 0.78
SCHEMBL9729698 0.78
SCHEMBL207281 0.76
SCHEMBL28909388 0.76 LMNA (0.42) LMNATSHRHCAR2CYP2D6MAPT
SCHEMBL6231322 0.76
SCHEMBL9177236 0.74 LMNA (0.45) LMNATSHRHCAR2CYP2D6MAPT
SCHEMBL1531113 0.74 GAA (0.48) LMNAHCAR2ALDH1A1CA12CA1
SCHEMBL10704162 0.74 LMNA (0.45) LMNATSHRHCAR2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857427-B1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME TOSOH CORP (JP) 2020-01-08 EP disclosed
EP-2857427-A1 CATALYST COMPOSITION FOR POLYURETHANE RESIN PRODUCTION AND METHOD FOR PRODUCING POLYURETHANE RESIN USING SAME Tosoh Corporation (JP) 2015-04-08 EP disclosed