SCHEMBL7796614

SCHEMBL7796614

COc1cc(OC)c2c(c1)C(=O)c1cccc(OCCCC3CCNC3)c1-2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KCNA3 P22001 1/20 0.39
ELANE P08246 2/20 0.39
ACP1 P24666 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EED O75530 1/20 0.36
NPY1R P25929 1/20 0.36
MAOA P21397 1/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
JUND P17535 1/20 0.35
FOSB P53539 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL7786255 0.96 KCNA3 (0.41) ALDH1A1CYP1A2CYP3A4KCNA3ACP1
SCHEMBL7786097 0.94 EED (0.44) ALDH1A1CYP1A2CYP3A4KCNA3ACP1
SCHEMBL7792388 0.91 ACP1 (0.41) KCNA3ACP1MEN1KMT2AEED
SCHEMBL7794760 0.90 ACP1 (0.42) KCNA3ACP1EEDNPY1R
SCHEMBL7786391 0.87 HTR2A (0.42) KCNA3ELANENPY1RHTR2AHTR2C
SCHEMBL7792449 0.87 KCNA3 (0.41) ALDH1A1KCNA3ELANEMEN1KMT2A
SCHEMBL7794782 0.87 KCNA3 (0.41) KCNA3NPY1RHTR2AHTR2CHTR2B
SCHEMBL7786173 0.87 HTR2A (0.39) KCNA3ACP1NPY1RHTR2AHTR2C
SCHEMBL7786238 0.87 HTR2A (0.42) KCNA3ELANENPY1RHTR2AHTR2C
SCHEMBL7792232 0.85 MEN1 (0.42) ALDH1A1KCNA3ACP1MEN1KMT2A

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