SCHEMBL8089299

SCHEMBL8089299

CCC1CCC(CC(=O)Cc2c(C)cc(C)cc2C)(CC(=O)OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
CYP19A1 P11511 1/20 0.30
NLRP3 Q96P20 1/20 0.30
EPHX2 P34913 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
SCHEMBL8096827 0.89 THRB (0.32) P2RX7EPHX2
SCHEMBL8094213 0.87 KMT2A (0.38) EPHX2
SCHEMBL8090780 0.87 MMP1 (0.32) P2RX7NLRP3
SCHEMBL8089426 0.87 DPP4 (0.32) P2RX7EPHX2
SCHEMBL8089298 0.86 KMT2A (0.37) EPHX2
SCHEMBL8089218 0.86 KMT2A (0.37) EPHX2
SCHEMBL8082664 0.85 P2RX7 (0.35) P2RX7FFAR4
SCHEMBL8090997 0.85 P2RX3 (0.32)
SCHEMBL8090778 0.82 TAS1R3 (0.32)
SCHEMBL8089330 0.80 CYP1A2 (0.47) EPHX2

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