SCHEMBL4574844

SCHEMBL4574844

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 1/20 0.46
PPM1B O75688 2/20 0.41
PTPN1 P18031 2/20 0.41
PPP1CC P36873 2/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.38
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL28810775 0.93 ALDH1A1 (0.52) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL5656419 0.93 ALDH1A1 (0.52) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL19474878 0.93 ALDH1A1 (0.52) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL11848105 0.93 ALDH1A1 (0.52) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL17085312 0.91 LMNA (0.42) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL16368839 0.91 LMNA (0.42) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL844467 0.91 ALDH1A1 (0.54) ALDH1A1TSHRPPM1BPTPN1PPP1CC
SCHEMBL4574654 0.89 TSHR (0.45) ALDH1A1TSHRPPM1BPTPN1THRB
SCHEMBL28658462 0.89 TSHR (0.45) ALDH1A1TSHRPPM1BPTPN1THRB
SCHEMBL15663011 0.87 TSHR (0.46) ALDH1A1TSHRPPM1BPTPN1PPP1CC

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
WO-2008156327-A2 LIPID HAVING SPECIFIC FUNCTIONAL GROUP AND PERSONAL CARE COMPOSITION COMPRISING THE LIPID LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2008-12-24 WO claimed
WO-2008156327-A2 LIPID HAVING SPECIFIC FUNCTIONAL GROUP AND PERSONAL CARE COMPOSITION COMPRISING THE LIPID LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2008-12-24 WO disclosed