SCHEMBL8090778

SCHEMBL8090778

COC(=O)CC1(CC(=O)Cc2c(C)cc(C)cc2C)CCC(C)C(C)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
CYP1A2 P05177 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) TAS1R3TAS1R1TAS1R2
SCHEMBL8089330 0.86 CYP1A2 (0.47) TAS1R3TAS1R1TAS1R2CYP1A2
SCHEMBL8094121 0.85 L3MBTL1 (0.34)
SCHEMBL8094213 0.84 KMT2A (0.38) TAS1R3TAS1R1TAS1R2
SCHEMBL8089426 0.83 DPP4 (0.32)
SCHEMBL8089298 0.83 KMT2A (0.37) TAS1R3TAS1R1TAS1R2
SCHEMBL8089218 0.83 KMT2A (0.37) TAS1R3TAS1R1TAS1R2
SCHEMBL8089299 0.82 P2RX7 (0.32)
SCHEMBL8090780 0.81 MMP1 (0.32)
SCHEMBL8090997 0.81 P2RX3 (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