SCHEMBL9569615

SCHEMBL9569615

CCOP(=O)(/C=C/CCCOS(C)(=O)=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MMP9 P14780 1/20 0.45
ALOX15 P16050 1/20 0.45
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 3/20 0.33
LPAR1 Q92633 2/20 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
SCHEMBL9569624 1.00 TSHR (0.45) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL9569609 0.79 KDM4E (0.48) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL9569604 0.79 KDM4E (0.48) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL8658473 0.78 LPAR3 (0.47) TSHRALDH1A1LPAR3LPAR2LPAR1
SCHEMBL8658471 0.78 LPAR3 (0.47) TSHRALDH1A1LPAR3LPAR2LPAR1
SCHEMBL2363294 0.77 LPAR3 (0.55) TSHRALDH1A1LPAR3LPAR2LPAR1
SCHEMBL2363295 0.77 LPAR3 (0.55) TSHRALDH1A1LPAR3LPAR2LPAR1
SCHEMBL8052984 0.75 LPAR3 (0.53) ALDH1A1LPAR3LPAR2LPAR1
SCHEMBL6542265 0.75 LPAR3 (0.53) ALDH1A1LPAR3LPAR2LPAR1
SCHEMBL11447222 0.75 LPAR3 (0.53) ALDH1A1LPAR3LPAR2LPAR1

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
EP-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP disclosed