SCHEMBL7791899

SCHEMBL7791899

CCOc1cc(OC)c2c(c1N)C(=O)c1cccc(OCCN(CC)CC)c1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CHRNA7 P36544 1/20 0.39
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
P2RY2 P41231 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7792216 0.97 ALDH1A1 (0.41) ALDH1A1MAOBADORA2AADORA1KMT2A
SCHEMBL27534207 0.96 CYP1A2 (0.39) TTRALDH1A1MAOBADORA2AADORA1
SCHEMBL7796236 0.96 TTR (0.40) TTRALDH1A1MAOBADORA2AADORA1
Hydrochloric Acid SCHEMBL7794703 0.96 ALDH1A1 (0.41) ALDH1A1MAOBADORA2AADORA1KMT2A
SCHEMBL7792098 0.95 ALDH1A1 (0.41) ALDH1A1MAOBADORA2AADORA1KMT2A
SCHEMBL7794675 0.95 TTR (0.42) TTRALDH1A1MAOBADORA2AADORA1
SCHEMBL7786304 0.95 TTR (0.42) TTRALDH1A1MAOBADORA2AADORA1
SCHEMBL7792470 0.94 CYP1A2 (0.42) ALDH1A1MAOBADORA2AADORA1KMT2A
Hydrochloric Acid SCHEMBL7786457 0.94 ALDH1A1 (0.41) ALDH1A1MAOBADORA2AADORA1KMT2A
SCHEMBL7786318 0.92 CYP1A2 (0.42) TTRALDH1A1MAOBADORA2AADORA1

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