SCHEMBL8094213

SCHEMBL8094213

COC(=O)CC1(CC(=O)Cc2c(C)cc(C)cc2C)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.33
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL8089218 0.99 KMT2A (0.37) KMT2AALDH1A1HPGDTSHRTP53
SCHEMBL8089298 0.99 KMT2A (0.37) KMT2AALDH1A1HPGDTSHRTP53
SCHEMBL8096827 0.91 THRB (0.32) KMT2ATP53EPHX2MAPTTAS1R3
SCHEMBL8089426 0.89 DPP4 (0.32) KMT2ATP53EPHX2MAPT
SCHEMBL8089299 0.87 P2RX7 (0.32) EPHX2
SCHEMBL8090997 0.86 P2RX3 (0.32) MAPT
SCHEMBL8089330 0.86 CYP1A2 (0.47) ALDH1A1EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL8090780 0.86 MMP1 (0.32)
SCHEMBL8090778 0.84 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL8094219 0.83 L3MBTL1 (0.42) KMT2AALDH1A1HPGDTSHRKDM4E

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