SCHEMBL8906344

SCHEMBL8906344

COC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2C)CCCCC1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TAS1R2 Q8TE23 3/20 0.34
EPHX2 P34913 2/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32
P2RX7 Q99572 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7964463 0.92 NPC1 (0.36) LMNAHPGDMAPTL3MBTL1KMT2A
SCHEMBL7960414 0.91 ALDH1A1 (0.36) EPHX2POLBHPGDMAPTKMT2A
SCHEMBL8905461 0.88 GAA (0.36) GAANPSR1TAS1R3TAS1R1TAS1R2
SCHEMBL8906967 0.85 L3MBTL1 (0.40) POLBLMNAHPGDP2RX7TDP1
SCHEMBL7960620 0.84 NPC1 (0.36) LMNAHPGDMAPTL3MBTL1KMT2A
SCHEMBL7949988 0.82 ALDH1A1 (0.36) EPHX2POLBLMNAHPGDMAPT
SCHEMBL8907139 0.81 KMT2A (0.47) GAALMNAL3MBTL1KMT2A
SCHEMBL7959997 0.79 ALDH1A1 (0.48) EPHX2POLBHPGDMAPTKMT2A
SCHEMBL8655033 0.79 SMN1; SMN2 (0.40) NPSR1LMNAHPGDMAPTP2RX7
SCHEMBL8652620 0.79 NPC1 (0.37) TAS1R3TAS1R1POLBMAPTP2RX7

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