SCHEMBL7792673

SCHEMBL7792673

CCCOc1cc(OCC)cc2c1-c1c(OCCN3CCCC3)cccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL7794869 0.99 KDM4E (0.46) KDM4EHTTALDH1A1TSHRL3MBTL1
SCHEMBL7786160 0.97 ALDH1A1 (0.46) KDM4EHTTALDH1A1TSHRL3MBTL1
SCHEMBL7792138 0.96 ALDH1A1 (0.46) KDM4EHTTALDH1A1TSHRL3MBTL1
SCHEMBL7792019 0.96 KDM4E (0.47) KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL7792327 0.96 KDM4E (0.47) KDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL7791975 0.96 ALDH1A1 (0.49) KDM4EHTTALDH1A1TSHRL3MBTL1
SCHEMBL7794725 0.95 KDM4E (0.48) KDM4EHTTALDH1A1TSHRL3MBTL1
SCHEMBL7786120 0.95 HRH3 (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7795838 0.95 HRH3 (0.46) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7791841 0.94 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