SCHEMBL7792199

SCHEMBL7792199

CCCOc1cccc2c1-c1c(OCCN3CCCC3)cccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.51
KDM4E B2RXH2 2/20 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
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.46
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL7792648 0.99 KDM4E (0.52) TDP1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL27525708 0.95 ALDH1A1 (0.51) TDP1KDM4ESMN1; SMN2CYP2D6CYP2C19
SCHEMBL7792620 0.94 TDP1 (0.49) TDP1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL7792358 0.94 CYP2D6 (0.53) KDM4ESMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL7795725 0.94 LTA4H (0.53) TDP1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL7792704 0.93 SMN1; SMN2 (0.49) TDP1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL7791879 0.92 LTA4H (0.52) TDP1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL7792681 0.92 ALDH1A1 (0.53) POLBKDM4ESMN1; SMN2CYP2D6CYP2C19
SCHEMBL7795904 0.92 ALDH1A1 (0.57) TDP1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL7792327 0.92 KDM4E (0.47) TDP1KDM4ESMN1; SMN2ALDH1A1

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