SCHEMBL10763452

SCHEMBL10763452

C=C(C)C(=O)C(=O)C1CCC(C(=O)C(=O)C(=C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 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
SCHEMBL10247068 0.83
SCHEMBL11031621 0.78 ALDH1A1 (0.34) TDP1ALDH1A1
SCHEMBL15122630 0.74
SCHEMBL15122454 0.74 CES2 (0.57) CES2CES1TDP1HSD17B10ALDH1A1
SCHEMBL15122782 0.72 CES2 (0.62) CES2CES1TDP1ALDH1A1LMNA
SCHEMBL15122575 0.72 CES2 (0.62) CES2CES1TDP1ALDH1A1LMNA
SCHEMBL11029892 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11439496 0.71
SCHEMBL2329613 0.69 CES2 (0.67) CES2CES1HSD17B10LMNATSHR
SCHEMBL13785028 0.69 TDP1 (0.53) TDP1HSD17B10ALDH1A1LMNATSHR

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-0209382-A2 Cast molding of acrylic plastics MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1987-01-21 EP disclosed