SCHEMBL8703256

SCHEMBL8703256

Cc1cc(C)c(CC(=O)C2(C(=O)O)CCCCC2C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
TAS1R3 Q7RTX0 5/20 0.35
TAS1R1 Q7RTX1 5/20 0.35
TAS1R2 Q8TE23 5/20 0.35
EPHX2 P34913 1/20 0.34
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL8703085 0.86 TAS1R3 (0.35) HRH3TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL8705521 0.84 EPHX2 (0.33) HRH3TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL8707142 0.83 TAS1R3 (0.36) HRH3TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL8703671 0.80 POLB (0.34) HRH3TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL8703838 0.79 KDM4E (0.35) HRH3TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL8704062 0.78 CYP1A2 (0.38) HRH3TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL8704201 0.77 HRH3 (0.35) HRH3TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL8704709 0.76 POLB (0.33) HRH3EPHX2POLBMAPTKDM4E
SCHEMBL8709790 0.76 EPHX2 (0.35) HRH3TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL8905461 0.76 GAA (0.36) HRH3TAS1R3TAS1R1TAS1R2EPHX2

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