SCHEMBL7795904

SCHEMBL7795904

CCOc1cccc2c1-c1c(OCCN3CCCC3)cccc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.51
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN1 P18031 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL7794781 0.99 ALDH1A1 (0.56) ALDH1A1L3MBTL1TDP1POLBKDM4E
SCHEMBL27493227 0.95 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ESMN1; SMN2CYP2D6
SCHEMBL7786139 0.94 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1POLBKDM4E
SCHEMBL7796208 0.94 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7786359 0.93 ALDH1A1 (0.52) ALDH1A1L3MBTL1TDP1POLBKDM4E
SCHEMBL7795889 0.92 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4ESMN1; SMN2CYP2D6
SCHEMBL7792199 0.92 TDP1 (0.52) ALDH1A1L3MBTL1TDP1POLBKDM4E
SCHEMBL7791975 0.92 ALDH1A1 (0.49) ALDH1A1L3MBTL1TDP1POLBKDM4E
SCHEMBL7791841 0.92 ALDH1A1 (0.49) ALDH1A1L3MBTL1TDP1KDM4ESMN1; SMN2
SCHEMBL7795725 0.91 LTA4H (0.53) ALDH1A1L3MBTL1TDP1POLBKDM4E

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