SCHEMBL28877333

SCHEMBL28877333

O=C(C=Cc1ccccc1)NOCCN1CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HTT P42858 2/20 0.44
ITGB2 P05107 3/20 0.43
ICAM1 P05362 3/20 0.43
ITGAL P20701 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL28877334 0.82 TSHR (0.62) POLBTSHRKMT2AITGB2ICAM1
SCHEMBL29722318 0.74 TSHR (0.53) POLBTSHRMEN1KMT2AHTT
SCHEMBL7480244 0.71 HDAC1 (0.46) TSHRMEN1KMT2AHDAC1HDAC8
SCHEMBL7480234 0.71 HDAC1 (0.46) TSHRMEN1KMT2AHDAC1HDAC8
SCHEMBL27880928 0.71 EGFR (0.59) KMT2AHDAC1HDAC8HTTSMN1; SMN2
SCHEMBL23640346 0.69 POLB (0.71) POLBTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL7894672 0.67 RAB9A (0.58) POLBMEN1KMT2AHDAC1HDAC8
SCHEMBL7894673 0.67 RAB9A (0.58) POLBMEN1KMT2AHDAC1HDAC8
SCHEMBL2228403 0.67 TSHR (0.51) POLBTSHRMEN1KMT2AHTT
SCHEMBL402936 0.67 POLB (0.47) POLBTSHRMEN1KMT2AHTT

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-115252914-B Network interpenetrating drug controlled release super-smooth coating catheter 山东百多安医疗器械股份有限公司 2022-11-29 CN disclosed
CN-115252914-A Network interpenetrating drug controlled release super-smooth coating catheter 山东百多安医疗器械股份有限公司 2022-11-01 CN disclosed