SCHEMBL8704201

SCHEMBL8704201

Cc1cc(C)c(CC(=O)C2(C(=O)O)CCC(C)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
THRB P10828 1/20 0.34
MAPT P10636 2/20 0.33
FFAR4 Q5NUL3 2/20 0.32
POLB P06746 3/20 0.32
KDM4E B2RXH2 1/20 0.32
EPHX2 P34913 2/20 0.32
P2RX7 Q99572 1/20 0.32
TAS1R3 Q7RTX0 4/20 0.31
TAS1R1 Q7RTX1 4/20 0.31
TAS1R2 Q8TE23 4/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL8707216 0.92 HRH3 (0.34) HRH3THRBMAPTFFAR4POLB
SCHEMBL8710240 0.86 HRH3 (0.34) HRH3THRBPOLBKDM4EEPHX2
SCHEMBL8703838 0.85 KDM4E (0.35) HRH3MAPTPOLBKDM4EEPHX2
SCHEMBL8708079 0.85 DPP4 (0.33) HRH3MAPTFFAR4POLBKDM4E
SCHEMBL8704022 0.85 HRH3 (0.33) HRH3MAPTFFAR4POLBKDM4E
SCHEMBL8707703 0.85 KDM4E (0.34) HRH3THRBPOLBKDM4EP2RX7
SCHEMBL8704062 0.84 CYP1A2 (0.38) HRH3FFAR4POLBEPHX2TAS1R3
SCHEMBL8703671 0.84 POLB (0.34) HRH3MAPTPOLBKDM4EEPHX2
SCHEMBL8708077 0.82 HPGD (0.36) HRH3MAPTPOLBKDM4EEPHX2
SCHEMBL8704438 0.82 HRH3 (0.31) HRH3MAPTFFAR4POLBKDM4E

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