SCHEMBL8906207

SCHEMBL8906207

COC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2C)CCC(C)C(C)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
LPAR1 Q92633 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7960049 0.92 LPAR1 (0.33) LPAR1KDM4EGAA
SCHEMBL7960343 0.91 HPGD (0.34) P2RX7LPAR1
SCHEMBL8905958 0.88 LPAR1 (0.35) P2RX7TAS1R3TAS1R1TAS1R2LPAR1
SCHEMBL8905682 0.87 MAPT (0.34) P2RX7TAS1R3TAS1R1TAS1R2LPAR1
SCHEMBL8905990 0.85 P2RX7 (0.37) P2RX7KDM4E
SCHEMBL8907276 0.85 MAPT (0.34) P2RX7TAS1R3TAS1R1TAS1R2LPAR1
SCHEMBL9595651 0.84 MEN1 (0.34) P2RX7NPSR1
SCHEMBL7959967 0.84 LPAR1 (0.39) LPAR1KDM4EGAA
SCHEMBL8907784 0.82 P2RX7 (0.34) P2RX7GAANPSR1
SCHEMBL7964477 0.82 LPAR1 (0.37) P2RX7LPAR1

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-5677449-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5462913-A Pesticides, insecticides, miticides, herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed