SCHEMBL8708010

SCHEMBL8708010

CCOC(=O)C1CCCCC1C(=O)C(OC)c1c(C)cc(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TP53 P04637 2/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 3/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA12 O43570 3/20 0.34
KDM4E B2RXH2 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL8709784 0.88 TAS1R3 (0.38) TAS1R3TAS1R1POLBGAA
SCHEMBL8705515 0.84 GAA (0.40) TAS1R3TAS1R1KDM4EMEN1KMT2A
SCHEMBL8710260 0.84 POLB (0.38) POLBCA1CA2CA9CA12
SCHEMBL8704310 0.82 POLB (0.43) TP53POLBKDM4EMEN1KMT2A
SCHEMBL8704066 0.81 POLB (0.41) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL8703624 0.80 POLB (0.39) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL8703936 0.74 POLB (0.36) TAS1R3TAS1R1POLBKDM4EMEN1
SCHEMBL8703076 0.74 TAS1R3 (0.38) TAS1R3TAS1R1POLBGAA
SCHEMBL8022828 0.74 TP53 (0.39) TAS1R3TAS1R1TP53CYP3A4POLB
SCHEMBL13011542 0.72 TP53 (0.53) TAS1R3TAS1R1TP53CYP3A4MEN1

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-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed