SCHEMBL8090997

SCHEMBL8090997

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.32
MAPT P10636 1/20 0.31
KARS1 Q15046 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 0.88 THRB (0.32) MAPT
SCHEMBL8094213 0.86 KMT2A (0.38) MAPT
SCHEMBL8089426 0.86 DPP4 (0.32) MAPT
SCHEMBL8090895 0.85 KDM4E (0.35) P2RX3
SCHEMBL8089298 0.85 KMT2A (0.37) MAPT
SCHEMBL8089218 0.85 KMT2A (0.37) MAPT
SCHEMBL8089299 0.85 P2RX7 (0.32)
SCHEMBL8090780 0.84 MMP1 (0.32)
SCHEMBL8848637 0.82 EPHX2 (0.30)
SCHEMBL8090778 0.81 TAS1R3 (0.32)

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