SCHEMBL29637459

SCHEMBL29637459

CC(O)C(C)CCC[C@@H](C)[C@H]1CCC2=C3CCC4CCCC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.49
NR1H4 Q96RI1 2/20 0.46
RORC P51449 1/20 0.43
LSS P48449 4/20 0.40
CDC25A P30304 2/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL28208065 1.00 NR1I2 (0.49) NR1I2NR1H4RORCLSSCDC25A
SCHEMBL29440355 0.92 NR1H4 (0.48) NR1I2NR1H4RORCLSSCDC25A
SCHEMBL11418481 0.90 LSS (0.49) NR1I2NR1H4RORCLSSCDC25A
SCHEMBL30106435 0.90 LSS (0.49) NR1I2NR1H4RORCLSSCDC25A
SCHEMBL30106436 0.90 LSS (0.49) NR1I2NR1H4RORCLSSCDC25A
SCHEMBL7245217 0.90 LSS (0.49) NR1I2NR1H4RORCLSSCDC25A
SCHEMBL30106433 0.86 NR1I2 (0.62) NR1I2NR1H4RORCLSS
SCHEMBL31274337 0.86 NR1I2 (0.62) NR1I2NR1H4RORCLSS
SCHEMBL16752069 0.86 NR1I2 (0.62) NR1I2NR1H4RORCLSS
SCHEMBL9464343 0.83 GPBAR1 (0.51) NR1I2NR1H4RORCCDC25A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114467578-A Method for preventing and treating plant nematodes 海南大学 2022-05-13 CN disclosed