SCHEMBL7774228

SCHEMBL7774228

CCCCCCOc1cc(CC#N)c(OCCCCCC)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKCG P05129 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
MAPKAPK2 P49137 1/20 0.39

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
SCHEMBL6132225 0.92 ALDH1A1 (0.46) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL15396940 0.92 ALDH1A1 (0.46) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL7774230 0.87 PSEN1 (0.50) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL19870481 0.87 PSEN1 (0.50) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL1225200 0.87 PSEN1 (0.50) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL30775067 0.84 PSEN1 (0.48) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL7776149 0.81 THRA (0.39) ALDH1A1HPGDCHUKDAPK3JAK2
SCHEMBL23070366 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7777616 0.80 PSEN1 (0.45) ALDH1A1HPGDPSEN1PSEN2APH1B
SCHEMBL31093433 0.77 PSEN1 (0.43) ALDH1A1HPGDPSEN1PSEN2APH1B

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-0704094-B1 POLYMERS FOR OPTICAL DEVICES CAMBRIDGE DISPLAY TECH LTD (GB) 2001-08-08 EP disclosed
US-5514878-A Polymers for electroluminescent devices CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 1996-05-07 US disclosed
EP-0704094-A1 POLYMERS FOR OPTICAL DEVICES Cambridge Display Technology Limited (GB) 1996-04-03 EP disclosed
WO-1994029883-A1 POLYMERS FOR OPTICAL DEVICES CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 1994-12-22 WO disclosed