SCHEMBL14366247

SCHEMBL14366247

CCCC1CCC(c2ccc(B(O)O)cc2)OC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.44
CYP2C9 P11712 1/20 0.37
LPL P06858 7/20 0.37
LIPG Q9Y5X9 7/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33
DGAT1 O75907 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL12736549 0.91 LPL (0.41) FASNLPLLIPGALDH1A1MAPT
SCHEMBL14366251 0.88 LPL (0.37) FASNLPLLIPGCA2CA1
SCHEMBL14366249 0.84 FASN (0.46) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL16591212 0.82 FASN (0.44) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL10552694 0.82 FASN (0.44) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL10551160 0.82 FASN (0.44) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL10555297 0.81 FASN (0.43) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL10550846 0.81 SLC6A3 (0.43) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL10551733 0.81 FASN (0.43) FASNCYP2C9ALDH1A1LMNAMAPT
SCHEMBL10550706 0.80 TSHR (0.52) FASNTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291367-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-7291367-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2007-11-06 US disclosed