SCHEMBL14036778

SCHEMBL14036778

Cc1cc(OCCCl)c(C(C)C)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
CHRNA4 P43681 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
BLM P54132 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 2/20 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
SCHEMBL28767120 0.83 LMNA (0.57) LMNAADRA1DADRA1AADRA1BCYP1A2
SCHEMBL11132329 0.81 CYP1A2 (0.61) LMNAADRA1DADRA1AADRA1BCYP1A2
SCHEMBL29498877 0.80 LMNA (0.55) LMNAADRA1DADRA1AADRA1BCYP1A2
SCHEMBL22235472 0.80 LMNA (0.55) LMNAADRA1DADRA1AADRA1BCYP1A2
SCHEMBL14036788 0.77 ADRA1D (0.41) LMNAADRA1DADRA1AADRA1BCYP1A2
SCHEMBL14036622 0.75 POLB (0.65) LMNASMN1; SMN2POLBGAAGFER
SCHEMBL11134803 0.75 LMNA (0.44) LMNAADRA1DADRA1AADRA1BCYP1A2
SCHEMBL9500070 0.73 ALDH1A1 (0.57) SMN1; SMN2POLBMAPTTSHRMAPK1
SCHEMBL14036780 0.73 KDM4E (0.36) LMNAADRA1DADRA1AADRA1BCYP1A2
SCHEMBL5529615 0.70 LMNA (0.45) LMNAADRA1DADRA1AADRA1BCYP1A2

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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed