SCHEMBL7795753

SCHEMBL7795753

COc1cc(OC)c2c(c1)C(=O)c1cccc(OCCN3CCCC3)c1-2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HTR2C P28335 3/20 0.48
RAD52 P43351 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MCHR1 Q99705 1/20 0.46
ACHE P22303 1/20 0.46
MAOB P27338 1/20 0.46
PTPN1 P18031 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
SCHEMBL7795692 0.99 POLB (0.52) POLBHTR2CRAD52PTPN1
SCHEMBL27493228 0.97 HRH3 (0.50) POLBHTR2CRAD52ALDH1A1CYP1A2
SCHEMBL27513182 0.96 HRH3 (0.52) POLBHTR2CALDH1A1CYP1A2PTPN1
SCHEMBL7794688 0.96 POLB (0.53) POLBHTR2CMCHR1ACHEMAOB
SCHEMBL7792055 0.94 POLB (0.52) POLBHTR2CACHEMAOB
SCHEMBL7796613 0.94 HRH3 (0.52) RAD52ALDH1A1CYP1A2MAOBPTPN1
SCHEMBL7795948 0.94 POLB (0.48) POLBHTR2CRAD52ALDH1A1PTPN1
SCHEMBL7786095 0.94 HRH3 (0.54) POLBRAD52ALDH1A1CYP1A2PTPN1
SCHEMBL7795752 0.94 POLB (0.48) POLBHTR2CRAD52PTPN1
SCHEMBL7795941 0.93 POLB (0.47) POLBHTR2CRAD52PTPN1

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