SCHEMBL6554439

SCHEMBL6554439

[CH2]CCCCCCCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.55
HRH4 Q9H3N8 1/20 0.46
TK2 O00142 11/20 0.46
TK1 P04183 1/20 0.43
DUT P33316 1/20 0.38
CYP2C9 P11712 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNA3 P22001 1/20 0.35
SLC6A1 P30531 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL8600632 0.92 KIF11 (0.59) KIF11HRH4TK2TK1DUT
SCHEMBL29194837 0.87 KIF11 (0.46) KIF11HRH4TK2TK1SLC6A1
SCHEMBL29194795 0.87 KIF11 (0.46) KIF11HRH4TK2TK1SLC6A1
SCHEMBL28353747 0.87 KIF11 (0.46) KIF11HRH4TK2TK1SLC6A1
SCHEMBL27989498 0.84 KIF11 (0.63) KIF11HRH4TK2TK1DUT
SCHEMBL25077435 0.81 KIF11 (0.55) KIF11HRH4TK2TK1TSHR
SCHEMBL5820308 0.81 KIF11 (0.55) KIF11HRH4TK2TK1TSHR
SCHEMBL9637348 0.81 KIF11 (0.55) KIF11HRH4TK2TK1DUT
SCHEMBL20032419 0.81 KIF11 (0.55) KIF11HRH4TK2TK1DUT
SCHEMBL21411547 0.81 KIF11 (0.55) KIF11HRH4TK2TK1TSHR

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
EP-0898575-B1 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT DR (US) 2004-12-29 EP claimed
CN-109906230-A Endosomolytic agent for gene therapy UCB生物制药私人有限公司 2019-06-18 CN disclosed