SCHEMBL29440355

SCHEMBL29440355

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.48
NR1I2 O75469 2/20 0.46
RORC P51449 1/20 0.40
LSS P48449 4/20 0.38
CDC25A P30304 2/20 0.34
CDC25B P30305 1/20 0.34

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 0.92 NR1I2 (0.49) NR1H4NR1I2RORCLSSCDC25A
SCHEMBL29637459 0.92 NR1I2 (0.49) NR1H4NR1I2RORCLSSCDC25A
SCHEMBL7245217 0.87 LSS (0.49) NR1H4NR1I2RORCLSSCDC25A
SCHEMBL11418481 0.87 LSS (0.49) NR1H4NR1I2RORCLSSCDC25A
SCHEMBL30106435 0.87 LSS (0.49) NR1H4NR1I2RORCLSSCDC25A
SCHEMBL30106436 0.87 LSS (0.49) NR1H4NR1I2RORCLSSCDC25A
SCHEMBL30106433 0.83 NR1I2 (0.62) NR1H4NR1I2RORCLSS
SCHEMBL31274337 0.83 NR1I2 (0.62) NR1H4NR1I2RORCLSS
SCHEMBL16752069 0.83 NR1I2 (0.62) NR1H4NR1I2RORCLSS
SCHEMBL9464343 0.80 GPBAR1 (0.51) NR1H4NR1I2RORCCDC25A

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-112121074-B Compound plant extract preparation for preventing and controlling porcine viral diseases and application thereof 湖南佳锐思生物科技有限公司 2022-02-25 CN disclosed