SCHEMBL11226746

SCHEMBL11226746

CCOC(=O)C(C(=O)OCC)=C(C)NC(=O)OCc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
P2RX7 Q99572 6/20 0.41
NOTUM Q6P988 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 2/20 0.37
FAAH O00519 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.37
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL11264173 0.82 IDO1 (0.44) IDO1P2RX7NOTUMPTGDR2TSHR
SCHEMBL11219306 0.77 SMN1; SMN2 (0.53) PTGDR2TSHRSMN1; SMN2KDM4EMAPT
SCHEMBL11219303 0.77 SMN1; SMN2 (0.53) PTGDR2TSHRSMN1; SMN2KDM4EMAPT
SCHEMBL15668251 0.75 P2RX7 (0.54) IDO1P2RX7PTGDR2TSHRSMN1; SMN2
SCHEMBL11226830 0.73 SMN1; SMN2 (0.39) IDO1PTGDR2TSHRSMN1; SMN2KDM4E
SCHEMBL11226832 0.73 SMN1; SMN2 (0.39) IDO1PTGDR2TSHRSMN1; SMN2KDM4E
SCHEMBL11229326 0.73 IDO1 (0.62) IDO1P2RX7NOTUMPTGDR2KDM4E
SCHEMBL11234771 0.72 SMN1; SMN2 (0.47) PTGDR2TSHRSMN1; SMN2MAPTLMNA
SCHEMBL11234775 0.72 SMN1; SMN2 (0.47) PTGDR2TSHRSMN1; SMN2MAPTLMNA
SCHEMBL11227517 0.71 MEN1 (0.48) IDO1PTGDR2TSHRSMN1; SMN2MAPT

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-4358606-A Esters of phenalkyloxycarbonylamino acids ZOECON CORPORATION (US) 1982-11-09 US disclosed