SCHEMBL8096827

SCHEMBL8096827

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
EPHX2 P34913 2/20 0.32
P2RX7 Q99572 1/20 0.32
TAS1R3 Q7RTX0 4/20 0.32
TAS1R1 Q7RTX1 4/20 0.32
TAS1R2 Q8TE23 4/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8094213 0.91 KMT2A (0.38) EPHX2TAS1R3TAS1R1TAS1R2TP53
SCHEMBL8089426 0.90 DPP4 (0.32) EPHX2P2RX7TP53MAPTKMT2A
SCHEMBL8089218 0.90 KMT2A (0.37) THRBEPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL8089298 0.90 KMT2A (0.37) THRBEPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL8089299 0.89 P2RX7 (0.32) EPHX2P2RX7
SCHEMBL8089330 0.88 CYP1A2 (0.47) EPHX2TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL8090997 0.88 P2RX3 (0.32) MAPT
SCHEMBL8090778 0.88 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL8090780 0.88 MMP1 (0.32) P2RX7
SCHEMBL8082675 0.84 THRB (0.37) THRBP2RX7TAS1R3TAS1R1TAS1R2

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
US-6150304-A HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-5840661-A HERBICIDES OR INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed