SCHEMBL7796236

SCHEMBL7796236

CCOc1cc(OC)c(N)c2c1-c1c(OCCN(CC)CC)cccc1C2=O

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
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
P2RY2 P41231 1/20 0.38
MCHR1 Q99705 1/20 0.37
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
EGFR P00533 1/20 0.36
PDGFRB P09619 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
SCHEMBL7791899 0.96 TTR (0.40) TTRALDH1A1MAOBADORA2AADORA1
SCHEMBL7792098 0.95 ALDH1A1 (0.41) ALDH1A1MAOBADORA2AADORA1KMT2A
SCHEMBL7786304 0.95 TTR (0.42) TTRALDH1A1MAOBADORA2AADORA1
SCHEMBL7794675 0.95 TTR (0.42) TTRALDH1A1MAOBADORA2AADORA1
SCHEMBL27534207 0.94 CYP1A2 (0.39) TTRALDH1A1MAOBADORA2AADORA1
SCHEMBL7786466 0.94 CYP1A2 (0.42) ALDH1A1MAOBADORA2AADORA1KMT2A
Hydrochloric Acid SCHEMBL7786457 0.94 ALDH1A1 (0.41) ALDH1A1MAOBADORA2AADORA1KMT2A
SCHEMBL7794717 0.93 ALDH1A1 (0.41) ALDH1A1MAOBADORA2AADORA1KMT2A
SCHEMBL7792216 0.93 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 4 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
CN-1235969-A Intermediates used in preparing dihydrobenzolfuran derivatives SUMITOMO CHEMICAL CO (JP) 1999-11-24 CN disclosed
CN-1220660-A Alkyloxyamino substituted fluorenones and their use as protein kinase cinhibitors HOECHST MARION ROUSSEL INC (US) 1999-06-23 CN disclosed