SCHEMBL4086725

SCHEMBL4086725

CC(CBr)CCCCCCCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACE2 Q9BYF1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 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
SCHEMBL11503229 1.00 LMNA (0.38) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL696503 0.97
SCHEMBL1130118 0.90
SCHEMBL4382437 0.84 LMNA (0.50) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL17657630 0.84 LMNA (0.50) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL55141 0.84 LMNA (0.50) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL7562156 0.84 LMNA (0.50) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL10081324 0.84 LMNA (0.50) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL30982943 0.84 LMNA (0.47) LMNAACE2
SCHEMBL3882632 0.81 LMNA (0.48) LMNATSHRALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009075560-A2 PROCESS FOR THE PREPARATION OF FLUORINATED ACRYLIC DERIVATIVES MIMOS BERHAD (MY) 2009-06-18 WO disclosed