SCHEMBL8089426

SCHEMBL8089426

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
EPHX2 P34913 1/20 0.31
P2RX7 Q99572 1/20 0.31
MAPT P10636 1/20 0.30
TP53 P04637 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL8090780 0.91 MMP1 (0.32) P2RX7
SCHEMBL8096827 0.90 THRB (0.32) EPHX2P2RX7MAPTTP53KMT2A
SCHEMBL8094213 0.89 KMT2A (0.38) EPHX2MAPTTP53KMT2A
SCHEMBL8089298 0.87 KMT2A (0.37) EPHX2MAPTTP53KMT2A
SCHEMBL8089218 0.87 KMT2A (0.37) EPHX2MAPTTP53KMT2A
SCHEMBL8089299 0.87 P2RX7 (0.32) EPHX2P2RX7
SCHEMBL8090997 0.86 P2RX3 (0.32) MAPT
SCHEMBL8096961 0.85 L3MBTL1 (0.35) P2RX7MAPTKMT2A
SCHEMBL8090778 0.83 TAS1R3 (0.32)
Bicarbonate SCHEMBL8848378 0.81 DPP4 (0.33) DPP4MAPT

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