SCHEMBL6018079

SCHEMBL6018079

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LPL P06858 6/20 0.32
LIPG Q9Y5X9 6/20 0.32
PDK2 Q15119 1/20 0.31
ENPP2 Q13822 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MGLL Q99685 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL29498708 0.93 CA2 (0.36) ALDH1A1MAPK1CA1CA2LPL
SCHEMBL770624 0.93 CA2 (0.36) ALDH1A1MAPK1CA1CA2LPL
SCHEMBL5251624 0.92 CA2 (0.36) ALDH1A1MAPK1CA1CA2LPL
SCHEMBL31388556 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1CA2PDK2TSHR
SCHEMBL3814580 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1CA2PDK2TSHR
SCHEMBL5502475 0.84 CA1 (0.31) CA1CA2LPLLIPG
Di(Hydroxyethyl)Ether SCHEMBL7160322 0.84 TSHR (0.32) ALDH1A1MAPK1CA1CA2LPL
SCHEMBL17037041 0.84 CA1 (0.32) CA1CA2LPLLIPGTRPV1
SCHEMBL6018281 0.82 ALDH1A1 (0.36) ALDH1A1MAPK1PDK2TSHR
SCHEMBL15672838 0.81

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