SCHEMBL7777616

SCHEMBL7777616

CCCCCCOc1cc(CCl)c(OCCCCCC)cc1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 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
SCHEMBL1225200 0.91 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19870481 0.91 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7774230 0.91 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1030141 0.91 ALDH1A1 (0.45) MAPTALDH1A1THRBGAANPSR1
SCHEMBL6132178 0.91 ALDH1A1 (0.45) MAPTALDH1A1THRBGAANPSR1
SCHEMBL30775067 0.88 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6303236 0.85 HTR2A (0.45) MAPTALDH1A1THRBGAANPSR1
SCHEMBL16226635 0.85 HTR2A (0.45) MAPTALDH1A1THRBGAANPSR1
SCHEMBL8509518 0.85 HTR2A (0.45) MAPTALDH1A1THRBGAANPSR1
SCHEMBL27574915 0.84 CYP1A2 (0.42) MAPTALDH1A1THRBGAANPSR1

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