SCHEMBL7794948

SCHEMBL7794948

COc1cccc2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HTR2C P28335 4/20 0.56
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL7792217 0.99 POLB (0.62) POLBHTR2CKDM4ESMN1; SMN2MEN1
SCHEMBL27493994 0.96 POLB (0.56) POLBHTR2CKDM4ESMN1; SMN2MEN1
SCHEMBL7794877 0.94 POLB (0.56) POLBHTR2CKDM4ESMN1; SMN2MEN1
SCHEMBL7792623 0.94 HRH3 (0.58) POLBHTR2CKDM4ESMN1; SMN2MEN1
SCHEMBL7786161 0.93 POLB (0.58) POLBHTR2CKDM4ESMN1; SMN2MEN1
SCHEMBL7794781 0.90 ALDH1A1 (0.56) POLBKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7792648 0.90 KDM4E (0.52) POLBKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7795692 0.90 POLB (0.52) POLBHTR2CKCNH2HRH3HTR2A
SCHEMBL7792055 0.90 POLB (0.52) POLBHTR2CKCNH2HRH3HTR2A
SCHEMBL7791879 0.89 LTA4H (0.52) POLBKDM4ESMN1; SMN2MEN1KMT2A

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