SCHEMBL8478755

SCHEMBL8478755

C=C1CN(C(=O)OC(C)(C)C)CC1=C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ESR2 Q92731 1/20 0.43
NR1H2 P55055 4/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.41
HDAC1 Q13547 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA1 P30542 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL20984021 0.89 USP2 (0.43) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL1488353 0.88 USP2 (0.48) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL17619470 0.87 ESR2 (0.51) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL2292608 0.83 USP2 (0.52) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL31080015 0.81 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL13801225 0.81 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL120243 0.81 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL17080478 0.81 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL13283565 0.81 ESR2 (0.49) USP2SMN1; SMN2ESR2NR1H2MAPK1
SCHEMBL21876055 0.80 USP2 (0.50) USP2SMN1; SMN2ESR2NR1H2MAPK1

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
US-5939268-A DIELS-ALDER REACTION PRODUCT OF A DIENE AND A DIENOPHILE; CHEMICAL INTERMEDIATES FOR DRUGS, SOLID PHASE SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
US-5939268-A DIELS-ALDER REACTION PRODUCT OF A DIENE AND A DIENOPHILE; CHEMICAL INTERMEDIATES FOR DRUGS, SOLID PHASE SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US disclosed