SCHEMBL28077533

SCHEMBL28077533

O=C1C=CC(=O)N1OC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
ALDH1A1 P00352 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CCR6 P51684 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14789769 0.75 NPC1 (0.35)
SCHEMBL10848836 0.72 ALDH1A1 (0.50) ALDH1A1LMNATDP1CYP3A4CYP2C9
SCHEMBL2643585 0.72 ALDH1A1 (0.50) ALDH1A1LMNATDP1CYP3A4CYP2C9
SCHEMBL14789766 0.72 NPC1 (0.32)
SCHEMBL4740573 0.71 MEN1 (0.34) ALDH1A1KMT2A
SCHEMBL30002131 0.69 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL2077862 0.69 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL24588712 0.67 ADAM17 (0.34)
SCHEMBL22563753 0.67 ADAM17 (0.34)
SCHEMBL24130978 0.65 ALDH1A1 (0.43) ALDH1A1LMNATDP1CYP2C9CYP2C19

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-105842984-A Coloring photosensitive resin composition 住友化学株式会社 2016-08-10 CN disclosed