SCHEMBL7786283

SCHEMBL7786283

CCCCOc1ccc(OCCN2CCCCC2)c2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
TRPM2 O94759 1/20 0.46
PARP1 P09874 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL7796096 0.99 LTA4H (0.50) LTA4HKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL7792561 0.95 ALDH1A1 (0.50) KDM4ESMN1; SMN2POLBTRPM2PARP1
SCHEMBL7794755 0.94 CYP2D6 (0.50) KDM4ESMN1; SMN2TRPM2PARP1MEN1
SCHEMBL7792704 0.94 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2TDP1TSHRPOLB
SCHEMBL7791879 0.94 LTA4H (0.52) LTA4HKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL7792620 0.93 TDP1 (0.49) KDM4ESMN1; SMN2TDP1TSHRPOLB
SCHEMBL7795725 0.93 LTA4H (0.53) LTA4HKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL7786359 0.92 ALDH1A1 (0.52) KDM4ESMN1; SMN2TDP1TSHRPOLB
SCHEMBL27559439 0.92 ALDH1A1 (0.51) LTA4HKDM4ESMN1; SMN2TRPM2PARP1
SCHEMBL7792345 0.91 ALDH1A1 (0.50) KDM4ESMN1; SMN2POLBTRPM2PARP1

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