SCHEMBL28484157

SCHEMBL28484157

C=C(C)C(=O)OC(CCCCCCCCCCC)CCCCCCOCC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
THRB P10828 1/20 0.46
CES2 O00748 2/20 0.44
PLA2G2C Q5R387 6/20 0.41
TLR2 O60603 3/20 0.36
FAAH O00519 1/20 0.36
PLA2G2A P14555 1/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 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
SCHEMBL28479654 1.00 TSHR (0.53) TSHRTHRBCES2PLA2G2CTLR2
SCHEMBL28483086 1.00 TSHR (0.53) TSHRTHRBCES2PLA2G2CTLR2
SCHEMBL28477302 0.90 THRB (0.47) TSHRTHRBCES2PLA2G2C
SCHEMBL886833 0.89 TSHR (0.55) TSHRFAAH
SCHEMBL21853809 0.89 TSHR (0.55) TSHRFAAH
SCHEMBL1702704 0.89 TSHR (0.55) TSHRFAAH
SCHEMBL21853813 0.89 TSHR (0.55) TSHRFAAH
SCHEMBL21647274 0.89 TSHR (0.55) TSHRFAAH
SCHEMBL2725427 0.89 TSHR (0.55) TSHRFAAH
SCHEMBL478186 0.89 TSHR (0.55) TSHRFAAH

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
CN-108235706-B Method for preparing polymers based on acryloyl dimethyltaurate, neutral monomers and monomers having carboxylate groups 科莱恩国际有限公司 2020-11-20 CN disclosed