SCHEMBL31099583

SCHEMBL31099583

C=Cc1ccc(CCCC)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.56
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP4Z1 Q86W10 1/20 0.48
CYP4F11 Q9HBI6 1/20 0.48
CYP4F12 Q9HCS2 1/20 0.48
THRB P10828 6/20 0.44
THRA P10827 5/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PSMB5 P28074 2/20 0.42
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL8371448 0.93 SKP2 (0.49) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL17160010 0.93 SKP2 (0.49) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL31670525 0.89 SKP2 (0.42) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL28877208 0.86 SKP2 (0.51) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL10534647 0.85 THRB (0.46) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL3947150 0.84 SKP2 (0.58) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL9789963 0.83 THRA (0.40) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL16901836 0.82 SKP2 (0.56) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL12802098 0.82 THRA (0.44) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL1264062 0.81 TRPA1 (0.39) SKP2CYP1A2HPGDNPC1MAPK1

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
CN-118772328-A High-spinnability polyacrylonitrile spinning solution and preparation method thereof 东华大学 2024-10-15 CN claimed
CN-118772328-A High-spinnability polyacrylonitrile spinning solution and preparation method thereof 东华大学 2024-10-15 CN disclosed