SCHEMBL8905682

SCHEMBL8905682

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
LPAR1 Q92633 1/20 0.34
P2RX7 Q99572 1/20 0.33
THRB P10828 1/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX2 P34913 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
POLB P06746 1/20 0.31
GPR132 Q9UNW8 1/20 0.31
LMNA P02545 2/20 0.30
HPGD P15428 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
SCHEMBL7949977 0.92 GAA (0.37) MAPTLPAR1GAALMNAHPGD
SCHEMBL7958124 0.90 SMN1; SMN2 (0.35) MAPTLPAR1P2RX7GAAEPHX2
SCHEMBL9595651 0.90 MEN1 (0.34) MAPTP2RX7NPSR1POLBLMNA
SCHEMBL8907784 0.88 P2RX7 (0.34) MAPTP2RX7GAANPSR1EPHX2
SCHEMBL8907090 0.87 GPR132 (0.37) MAPTLPAR1P2RX7THRBGAA
SCHEMBL9595918 0.87 MAPT (0.40) MAPTTHRBPOLBLMNA
SCHEMBL8906207 0.87 P2RX7 (0.32) LPAR1P2RX7GAANPSR1TAS1R3
SCHEMBL8906013 0.87 P2RX7 (0.34) MAPTP2RX7GAANPSR1POLB
SCHEMBL8906549 0.87 MAPT (0.32) MAPTLPAR1P2RX7GAANPSR1
SCHEMBL12460527 0.86 MAPT (0.32) MAPTP2RX7

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