SCHEMBL8710240

SCHEMBL8710240

COC(=O)C1(C(=O)Cc2c(C)cc(C)cc2C)CCC(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
EPHX2 P34913 2/20 0.33
P2RX7 Q99572 1/20 0.33
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
TAS1R2 Q8TE23 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8704400 0.94 EPHX2 (0.33) HRH3POLBEPHX2P2RX7TAS1R3
SCHEMBL8707703 0.88 KDM4E (0.34) HRH3KDM4EALDH1A1KMT2ATHRB
SCHEMBL8707684 0.88 POLB (0.33) HRH3KDM4EALDH1A1POLBEPHX2
SCHEMBL8703508 0.87 TAS1R3 (0.33) HRH3POLBEPHX2P2RX7TAS1R3
SCHEMBL8705599 0.86 EPHX2 (0.34) HRH3KDM4EALDH1A1POLBEPHX2
SCHEMBL8704201 0.86 HRH3 (0.35) HRH3KDM4ETHRBPOLBEPHX2
SCHEMBL8703842 0.86 KDM4E (0.34) HRH3KDM4EALDH1A1KMT2APOLB
SCHEMBL8704592 0.86 NPSR1 (0.34) KDM4EALDH1A1KMT2ATHRBPOLB
SCHEMBL8703647 0.86 POLB (0.32) POLBEPHX2P2RX7TAS1R3TAS1R1
SCHEMBL8703864 0.85 TAS1R3 (0.33) HRH3KDM4EALDH1A1KMT2APOLB

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