SCHEMBL6018281

SCHEMBL6018281

CCCCC(CC)CC1(CC(CC)CCCC)c2cc(Cl)ccc2-c2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CRHR1 P34998 3/20 0.31
PIM1 P11309 1/20 0.31
PDK2 Q15119 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL679081 0.92 ALDH1A1 (0.33) ALDH1A1MAPK1PDK2TSHR
SCHEMBL29539705 0.92 ALDH1A1 (0.33) ALDH1A1MAPK1PDK2TSHR
SCHEMBL31388556 0.92 ALDH1A1 (0.40) ALDH1A1MAPK1CRHR1PIM1PDK2
SCHEMBL3814580 0.92 ALDH1A1 (0.40) ALDH1A1MAPK1CRHR1PIM1PDK2
SCHEMBL10021911 0.86 MAPT (0.32)
SCHEMBL9898232 0.86 MEN1 (0.39) ALDH1A1PDK2
SCHEMBL2135089 0.85
SCHEMBL13957190 0.85
SCHEMBL13228978 0.83
SCHEMBL5502649 0.83 MEN1 (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138483-B2 Monomers, conjugated polymers and electronic devices using such polymers E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-11-21 US disclosed
US-20040192871-A1 Monomers, conjugated polymers and electronic devices using such polymers E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
WO-2004072123-A2 MONOMERS, CONJUGATED POLYMERS AND ELECTRONIC DEVICES USING SUCH POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-08-26 WO disclosed