SCHEMBL8907276

SCHEMBL8907276

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
LPAR1 Q92633 1/20 0.34
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
P2RX7 Q99572 1/20 0.31
TAS1R3 Q7RTX0 4/20 0.31
TAS1R1 Q7RTX1 4/20 0.31
TAS1R2 Q8TE23 4/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL7957870 0.93 LPAR1 (0.35) MAPTLPAR1GAALMNAHPGD
SCHEMBL7960135 0.91 HPGD (0.34) MAPTLPAR1EPHX2ALDH1A1L3MBTL1
SCHEMBL8907769 0.88 LPAR1 (0.38) LPAR1EPHX2CYP1A2GAANPSR1
SCHEMBL8905682 0.86 MAPT (0.34) MAPTLPAR1EPHX2GAANPSR1
SCHEMBL8906878 0.86 POLB (0.37) LPAR1ALDH1A1L3MBTL1P2RX7POLB
SCHEMBL811969 0.86 SLC6A3 (0.33) MAPTLPAR1ALDH1A1L3MBTL1NPSR1
SCHEMBL9595918 0.85 MAPT (0.40) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL8906207 0.85 P2RX7 (0.32) LPAR1GAANPSR1P2RX7TAS1R3
SCHEMBL9595748 0.84 MAPT (0.42) MAPTALDH1A1L3MBTL1POLBLMNA
SCHEMBL15304587 0.84 LPAR1 (0.35) LPAR1EPHX2ALDH1A1L3MBTL1GAA

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