SCHEMBL7786319

SCHEMBL7786319

CCOc1cc(OC)c2c(c1)C(=O)c1cccc(OCCN3CCCC3)c1-2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HTR2C P28335 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
MCHR1 Q99705 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL7792338 0.99 POLB (0.49) POLBHTR2CKDM4EHTTALDH1A1
SCHEMBL7791975 0.95 ALDH1A1 (0.49) POLBKDM4EHTTACHEALDH1A1
SCHEMBL7794688 0.95 POLB (0.53) POLBHTR2CMCHR1ACHEMAOB
SCHEMBL7794725 0.94 KDM4E (0.48) KDM4EHTTACHEALDH1A1TSHR
SCHEMBL7792055 0.94 POLB (0.52) POLBHTR2CACHEMAOB
SCHEMBL27514211 0.93 ALDH1A1 (0.44) POLBHTR2CKDM4EHTTACHE
SCHEMBL7786431 0.93 POLB (0.49) POLBHTR2CACHEMAOB
SCHEMBL7795948 0.93 POLB (0.48) POLBHTR2CKDM4EHTTALDH1A1
SCHEMBL7792673 0.93 KDM4E (0.46) POLBKDM4EHTTACHEALDH1A1
SCHEMBL7791841 0.93 ALDH1A1 (0.49) KDM4EHTTALDH1A1TSHRL3MBTL1

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