SCHEMBL8089218

SCHEMBL8089218

COC(=O)CC1(CC(=O)Cc2c(C)cc(C)cc2C)CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
HSD11B1 P28845 1/20 0.32
MAPT P10636 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
SCHEMBL8089298 1.00 KMT2A (0.37) KMT2AALDH1A1EPHX2HPGDTSHR
SCHEMBL8094213 0.99 KMT2A (0.38) KMT2AALDH1A1EPHX2HPGDTSHR
SCHEMBL8096827 0.90 THRB (0.32) KMT2AEPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL8089426 0.87 DPP4 (0.32) KMT2AEPHX2TP53MAPT
SCHEMBL8089299 0.86 P2RX7 (0.32) EPHX2
SCHEMBL8090780 0.85 MMP1 (0.32)
SCHEMBL8089330 0.85 CYP1A2 (0.47) ALDH1A1EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL8090997 0.85 P2RX3 (0.32) MAPT
SCHEMBL8089333 0.83 L3MBTL1 (0.42) KMT2AALDH1A1HPGDTSHRLMNA
SCHEMBL8090768 0.83 L3MBTL1 (0.42) KMT2AALDH1A1HPGDTSHRLMNA

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