SCHEMBL2036641

SCHEMBL2036641

C=C(C)C(=O)OCCC(CCOP(=O)([O-])O)[N+](CC)(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL541535 0.91 THRB (0.38) THRBTSHRALDH1A1
SCHEMBL2041337 0.90 TSHR (0.39) THRBTSHRALDH1A1
SCHEMBL2037326 0.88 TSHR (0.43) THRBTSHR
SCHEMBL28874073 0.83 TSHR (0.40) THRBTSHRALDH1A1
SCHEMBL14675853 0.83 TSHR (0.43) THRBTSHRALDH1A1
SCHEMBL20582579 0.83 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL541550 0.81 TSHR (0.38) THRBTSHR
SCHEMBL6851650 0.80 TSHR (0.38) THRBTSHRALDH1A1
SCHEMBL541928 0.79 TSHR (0.43) THRBTSHR
SCHEMBL28874078 0.79 TSHR (0.41) THRBTSHRALDH1A1

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-2512416-A2 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU L'Oréal (FR) 2012-10-24 EP disclosed
WO-2011073279-A2 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU L'OREAL (FR) 2011-06-23 WO disclosed