SCHEMBL7786359

SCHEMBL7786359

CCOc1ccc(OCCN2CCCCC2)c2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HTR2C P28335 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TRPM2 O94759 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL7786139 0.99 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1
SCHEMBL7792791 0.94 ALDH1A1 (0.57) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TSHR
SCHEMBL7794781 0.94 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1
SCHEMBL7792704 0.93 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1
SCHEMBL7792602 0.93 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TSHR
SCHEMBL7795904 0.93 ALDH1A1 (0.57) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1
SCHEMBL7786283 0.92 LTA4H (0.49) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1
SCHEMBL7792620 0.92 TDP1 (0.49) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1
SCHEMBL7794877 0.91 POLB (0.56) ALDH1A1KDM4ESMN1; SMN2TDP1POLB
SCHEMBL7796096 0.91 LTA4H (0.50) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1

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 4 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
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed