SCHEMBL8620210

SCHEMBL8620210

CCOP(=O)(OCC)C(C/C=C/COC(C)=O)P(=O)(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HMGCR P04035 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31
ALOX15 P16050 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
SCHEMBL8617347 0.78 PPARD (0.36) ALDH1A1LMNAHMGCRCYP3A4CYP2C9
SCHEMBL21224619 0.73 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL22654331 0.73 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL74779 0.72 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CYP3A4TSHR
SCHEMBL221749 0.72 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CYP3A4TSHR
SCHEMBL271027 0.72 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CYP3A4TSHR
SCHEMBL11791908 0.71 PTPN1 (0.41) ALDH1A1LMNAHSD17B10CYP3A4TSHR
SCHEMBL11791904 0.71 PTPN1 (0.41) ALDH1A1LMNAHSD17B10CYP3A4TSHR
SCHEMBL17880417 0.71 PTPN1 (0.41) ALDH1A1LMNAHSD17B10CYP3A4TSHR
SCHEMBL31298510 0.70 PTPN1 (0.38) ALDH1A1LMNAHSD17B10TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 WO disclosed