SCHEMBL7795838

SCHEMBL7795838

CCCOc1cc(OCCN2CCCCC2)cc2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 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
SCHEMBL7786120 1.00 HRH3 (0.46) HRH3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7792019 0.99 KDM4E (0.47) HRH3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7792327 0.99 KDM4E (0.47) HRH3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7792138 0.97 ALDH1A1 (0.46) HRH3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL27559443 0.97 MET (0.48) HRH3KDM4EALDH1A1
SCHEMBL7786286 0.96 POLB (0.48) HRH3
SCHEMBL7794869 0.96 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7786160 0.96 ALDH1A1 (0.46) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7786431 0.95 POLB (0.49) HRH3
SCHEMBL7786477 0.95 MET (0.49) HRH3KDM4EALDH1A1

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