SCHEMBL8829936

SCHEMBL8829936

CC(C)=C(O)C(O)C(=O)OC(=O)C(O)C(O)=C(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL4667159 0.82 SMN1; SMN2 (0.39) ALDH1A1
SCHEMBL7456894 0.75 HCAR2 (0.39) ALDH1A1TSHRTDP1
SCHEMBL9730229 0.75 FFAR3 (0.35) TSHRTP53FFAR3LCKFYN
SCHEMBL4576117 0.75 TP53 (0.42) ALDH1A1TSHRTDP1TP53FFAR3
SCHEMBL6053035 0.73
SCHEMBL27677436 0.72 TP53 (0.40) TSHRTDP1TP53FFAR3LCK
SCHEMBL9732271 0.68 TP53 (0.36) TP53FFAR3LCKFYN
Phosphoric Acid SCHEMBL9659497 0.67 CA2 (0.32)
SCHEMBL28167212 0.65 ALDH1A1 (0.47) ALDH1A1TSHRTDP1
SCHEMBL27569981 0.61 TP53 (0.47) ALDH1A1TSHRTP53

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
US-5612043-A Oil-in-water emulsion containing a perfluoropolyether, composition containing the same, preparation process and use in cosmetics and dermatology L'OREAL (FR) 1997-03-18 US disclosed