SCHEMBL7795889

SCHEMBL7795889

CCOc1cccc2c1-c1c(OCCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
TRPM2 O94759 1/20 0.51
PARP1 P09874 1/20 0.51
HRH3 Q9Y5N1 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NMT2 O60551 1/20 0.49
NMT1 P30419 1/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL7796208 0.99 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL27493227 0.98 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7792791 0.94 ALDH1A1 (0.57) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7794781 0.94 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7792602 0.93 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7792681 0.93 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7795904 0.92 ALDH1A1 (0.57) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7792137 0.92 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL7786085 0.92 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL27559437 0.92 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EMEN1KMT2A

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