SCHEMBL7791879

SCHEMBL7791879

CCCCOc1cccc2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49
TRPM2 O94759 1/20 0.48
PARP1 P09874 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7795725 0.99 LTA4H (0.53) LTA4HKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL27559439 0.98 ALDH1A1 (0.51) LTA4HKDM4ESMN1; SMN2TRPM2PARP1
SCHEMBL7786283 0.94 LTA4H (0.49) LTA4HKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL7791766 0.94 CYP2D6 (0.53) KDM4ESMN1; SMN2TRPM2PARP1MEN1
SCHEMBL7792648 0.94 KDM4E (0.52) KDM4ESMN1; SMN2TDP1TSHRPOLB
SCHEMBL27525708 0.93 ALDH1A1 (0.51) KDM4ESMN1; SMN2TDP1TRPM2PARP1
SCHEMBL7796096 0.93 LTA4H (0.50) LTA4HKDM4ESMN1; SMN2TDP1TSHR
SCHEMBL7792199 0.92 TDP1 (0.52) KDM4ESMN1; SMN2TDP1TSHRPOLB
SCHEMBL7792464 0.92 LTA4H (0.51) LTA4HKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7794781 0.91 ALDH1A1 (0.56) KDM4ESMN1; SMN2TDP1TSHRPOLB

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