SCHEMBL28050007

SCHEMBL28050007

CCCOc1cccc2c1C(=O)c1cccc(OCCC)c1C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.59
ELANE P08246 5/20 0.50
TTR P02766 1/20 0.50
CYP2A6 P11509 1/20 0.47
EGFR P00533 1/20 0.47
PIM1 P11309 1/20 0.47
PDE5A O76074 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSG P08311 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE2A O00408 1/20 0.41

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
SCHEMBL16076555 0.91 KCNA3 (0.62) KCNA3ELANETTREGFRPIM1
SCHEMBL15292953 0.89 KCNA3 (0.50) KCNA3ELANETTRCYP2A6EGFR
SCHEMBL918577 0.88 KCNA3 (0.63) KCNA3ELANETTREGFRPIM1
SCHEMBL28986871 0.86 KCNA3 (0.70) KCNA3ELANETTREGFRMEN1
SCHEMBL9017760 0.86 ELANE (0.67) KCNA3ELANETTREGFRPIM1
SCHEMBL20678449 0.84 KCNA3 (0.71) KCNA3ELANETTRMEN1KMT2A
SCHEMBL27604497 0.84 KCNA3 (0.71) KCNA3ELANETTRMEN1KMT2A
SCHEMBL16076554 0.82 MAOA (0.56) KCNA3ELANETTREGFRPIM1
SCHEMBL15427129 0.82 KCNA3 (0.47) KCNA3ELANETTRMEN1KMT2A
SCHEMBL17305579 0.81 KCNA3 (0.59) KCNA3ELANETTREGFRPIM1

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-105294973-A High-color-concentration migration-resistance waterborne polyurethane type dye and preparation method thereof JIAXING DONGJING PRINTING AND DYEING MATERIAL CO LTD 2016-02-03 CN claimed
CN-105294973-A High-color-concentration migration-resistance waterborne polyurethane type dye and preparation method thereof JIAXING DONGJING PRINTING AND DYEING MATERIAL CO LTD 2016-02-03 CN disclosed