SCHEMBL7792444

SCHEMBL7792444

CCOc1cc(OCC)c2c(c1N)C(=O)c1cccc(OCCN3CCCC3)c1-2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
HTR2C P28335 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TTR P02766 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
SCHEMBL7795879 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1HTR2CPOLB
SCHEMBL7796117 0.99 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1HTR2CPOLB
SCHEMBL7792226 0.97 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1HTR2CPOLB
SCHEMBL7796421 0.97 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1HTR2CPOLB
SCHEMBL7795913 0.96 POLB (0.47) ALDH1A1L3MBTL1HTR2CPOLB
SCHEMBL7796495 0.95 POLB (0.48) ALDH1A1L3MBTL1HTR2CPOLB
SCHEMBL7794786 0.95 ALDH1A1 (0.52) ALDH1A1L3MBTL1KDM4ESMN1; SMN2HTT
SCHEMBL7792435 0.94 ALDH1A1 (0.51) ALDH1A1L3MBTL1KDM4EHTTADORA2A
SCHEMBL7796231 0.94 TDP1 (0.43) ALDH1A1TDP1HTR2CPOLBKDM4E
SCHEMBL7795958 0.94 TDP1 (0.43) ALDH1A1TDP1HTR2CPOLBKDM4E

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-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed