SCHEMBL29131352

SCHEMBL29131352

CCCCCCCCCCCCCCCCCC=C(C)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.45
TSHR P16473 2/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
FAAH O00519 4/20 0.35
TRPV1 Q8NER1 1/20 0.35
TERT O14746 3/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 2/20 0.35
CYP2C19 P33261 2/20 0.35
BLM P54132 2/20 0.35
HSD17B10 Q99714 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 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
SCHEMBL11687029 1.00 EP300 (0.45) EP300TSHRKMT2AMEN1CYP3A4
SCHEMBL14763494 1.00 EP300 (0.45) EP300TSHRKMT2AMEN1CYP3A4
SCHEMBL4879936 1.00 EP300 (0.45) EP300TSHRKMT2AMEN1CYP3A4
SCHEMBL10556865 0.91
SCHEMBL10789786 0.91
SCHEMBL10556866 0.91
SCHEMBL10789771 0.81
SCHEMBL17811841 0.81
SCHEMBL10789764 0.81
SCHEMBL10666394 0.80 EP300 (0.47) EP300TSHRKMT2AFAAHTRPV1

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
CN-117015548-A Synthetic ursolic acid derivatives and methods of use thereof 里亚塔医药公司 2023-11-07 CN claimed
CN-117015548-A Synthetic ursolic acid derivatives and methods of use thereof 里亚塔医药公司 2023-11-07 CN disclosed