SCHEMBL7786097

SCHEMBL7786097

COc1cc(OC)c2c(c1)C(=O)c1cccc(OCCCC3CCCNC3)c1-2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.44
ACP1 P24666 7/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPY1R P25929 7/20 0.41
ROCK2 O75116 2/20 0.40
PKN2 Q16513 1/20 0.39
KCNA3 P22001 1/20 0.38

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
SCHEMBL7794760 0.96 ACP1 (0.42) EEDACP1NPY1RROCK2PKN2
SCHEMBL7796614 0.94 ALDH1A1 (0.42) EEDACP1ALDH1A1CYP1A2CYP3A4
SCHEMBL7792629 0.91 ACP1 (0.45) EEDACP1NPY1RROCK2PKN2
SCHEMBL7786255 0.90 KCNA3 (0.41) ACP1ALDH1A1CYP1A2CYP3A4NPY1R
SCHEMBL7786481 0.88 HTR2A (0.41) EEDACP1NPY1RKCNA3
SCHEMBL7786088 0.88 NPY1R (0.40) EEDACP1NPY1RKCNA3
SCHEMBL7792139 0.88 ACP1 (0.41) EEDACP1NPY1RKCNA3
SCHEMBL7795714 0.88 NPY1R (0.42) ACP1NPY1RKCNA3
SCHEMBL7794815 0.88 HTR2A (0.41) EEDACP1NPY1RKCNA3
SCHEMBL7794665 0.86 ACP1 (0.43) EEDACP1ALDH1A1NPY1RROCK2

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