SCHEMBL8380888

SCHEMBL8380888

C=C(C)C1C(=O)C=CC1(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.30
POLB P06746 1/20 0.30
POLA1 P09884 1/20 0.30

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
SCHEMBL4270218 0.67 CYP2C19 (0.34)
SCHEMBL4273591 0.67 CYP3A4 (0.34)
SCHEMBL11176776 0.57
SCHEMBL19763394 0.55 ALDH1A1 (0.33) POLB
SCHEMBL22589310 0.55 GSK3A (0.65)
SCHEMBL27676411 0.55 GSK3A (0.65)
SCHEMBL9565786 0.54
SCHEMBL13039615 0.54 CYP3A4 (0.37)
SCHEMBL25217392 0.52
Maleic Anhydride SCHEMBL28247 0.49 KMT2A (0.32)

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
JP-11255698-A None JP disclosed
JP-H11255698-A PRODUCTION OF 2-ALKENYL-SUBSTITUTED CYCLOPENTENONES SUMITOMO CHEM CO LTD 1999-09-21 JP disclosed