SCHEMBL10425201

SCHEMBL10425201

CCN1C(C)=C(C(=O)OC(C)C)C(c2sccc2C)C2=C1COC2=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGM P11217 12/20 0.45
PYGL P06737 11/20 0.45
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2B P29275 2/20 0.34
HTT P42858 1/20 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
SCHEMBL10424875 0.91 PYGM (0.46) PYGMPYGLTSHRHSD17B10ADORA2B
SCHEMBL10426101 0.87 ADORA2B (0.42) PYGMPYGLKDM4ECYP1A2CYP3A4
SCHEMBL9828735 0.86 KDM4E (0.36) PYGMPYGLKDM4ECYP1A2CYP3A4
SCHEMBL10425160 0.85 PYGM (0.46) PYGMPYGLADORA2B
SCHEMBL9864934 0.83 PYGM (0.49) PYGMPYGLGAATSHRADORA2B
SCHEMBL30157261 0.80 PYGM (0.62) PYGMPYGL
SCHEMBL4072118 0.80 PYGM (0.62) PYGMPYGL
SCHEMBL9865794 0.78 PYGM (0.46) PYGMPYGLADORA2B
SCHEMBL9828158 0.78 PYGM (0.35) PYGMPYGL
SCHEMBL10424603 0.77 HSD17B10 (0.56) KDM4ECYP1A2CYP3A4GAAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4801715-A HYPOGLYCEMIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-01-31 US claimed
US-4894378-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1990-01-16 US disclosed
US-4801715-A HYPOGLYCEMIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-01-31 US disclosed