SCHEMBL7786095

SCHEMBL7786095

COc1cc(OC)c2c(c1)C(=O)c1cccc(OCCCN3CCCCC3)c1-2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.54
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PTPN1 P18031 2/20 0.48
PKM P14618 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RAD52 P43351 1/20 0.46

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
SCHEMBL7796613 0.99 HRH3 (0.52) HRH3KCNH2ALDH1A1KMT2AKDM4E
SCHEMBL27513182 0.98 HRH3 (0.52) HRH3KCNH2ALDH1A1KMT2AKDM4E
SCHEMBL27493228 0.97 HRH3 (0.50) HRH3KCNH2ALDH1A1KMT2AKDM4E
SCHEMBL7794758 0.96 HRH3 (0.56) HRH3KCNH2ALDH1A1KMT2AKDM4E
SCHEMBL7795692 0.95 POLB (0.52) HRH3KCNH2PTPN1POLBRAD52
SCHEMBL7786254 0.95 HRH3 (0.55) HRH3KCNH2ALDH1A1KMT2AKDM4E
SCHEMBL7795753 0.94 POLB (0.53) ALDH1A1CYP1A2PTPN1POLBRAD52
SCHEMBL7792055 0.90 POLB (0.52) HRH3KCNH2POLB
SCHEMBL7792623 0.90 HRH3 (0.58) HRH3KCNH2ALDH1A1KMT2AKDM4E
SCHEMBL7795669 0.90 TSHR (0.57) ALDH1A1KDM4ECYP2D6

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