SCHEMBL4630852

SCHEMBL4630852

CCC(O)CCO.CCCCC(CC)CC(O)C(O)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CA2 P00918 2/20 0.39
LMNA P02545 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 4/20 0.36
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.33
CYP2D6 P10635 3/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL128637 0.89 ALDH1A1 (0.61) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL5154050 0.82 LMNA (0.57) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL5153473 0.82 LMNA (0.57) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL7045563 0.82 ALDH1A1 (0.56) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL30899588 0.82 ALDH1A1 (0.58) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL30592702 0.77 ALDH1A1 (0.55) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL8897874 0.77 ALDH1A1 (0.59) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL7048791 0.77 ALDH1A1 (0.48) ALDH1A1CA2LMNATDP1CYP3A4
SCHEMBL3663548 0.76 THRB (0.56) ALDH1A1CA2LMNACYP3A4THRB
SCHEMBL2388866 0.76 ALDH1A1 (0.64) ALDH1A1CA2LMNATDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675562-B1 SHAMPOO AND BODY WASH COMPOSITION FRENCHTOP NATURAL CARE PRODUCT (NL) 2008-05-21 EP claimed
EP-1675562-B1 SHAMPOO AND BODY WASH COMPOSITION FRENCHTOP NATURAL CARE PRODUCT (NL) 2008-05-21 EP disclosed
EP-1675562-A1 SHAMPOO AND BODY WASH COMPOSITION Frenchtop Naturel Care Products B.V. (NL) 2006-07-05 EP disclosed
WO-2005034895-A1 SHAMPOO AND BODY WASH COMPOSITION FRENCHTOP NATURAL CARE PRODUCTS B.V. (NL) 2005-04-21 WO disclosed