SCHEMBL31059433

SCHEMBL31059433

CCC=C(C)C(=O)N(NCCCC)NCCCC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.33
ALOX15 P16050 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
ACHE P22303 7/20 0.32
MMP2 P08253 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL25418175 0.81
SCHEMBL30153402 0.75 EP300 (0.35)
SCHEMBL29445568 0.75
SCHEMBL29445569 0.75
SCHEMBL29438554 0.70
SCHEMBL30361713 0.70
SCHEMBL3278870 0.69 HDAC3 (0.42)
SCHEMBL30153253 0.69 EP300 (0.36)
SCHEMBL2833761 0.68 CNR2 (0.36) EPHX1ALOX15ADH1BADH1CADH1A
SCHEMBL2833760 0.68 CNR2 (0.36) EPHX1ALOX15ADH1BADH1CADH1A

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-118541179-A Stimulus-responsive block copolymer 波士顿科学国际有限公司 2024-08-23 CN disclosed