SCHEMBL14036788

SCHEMBL14036788

Cc1cc(OCCCl)c(C(C)C)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 5/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL14036616 0.84 LMNA (0.47) ADRA1DADRA1AADRA1BCYP1A2ADRA2A
SCHEMBL6405698 0.78 POLB (0.54) KDM4ELMNAGAATSHRALDH1A1
SCHEMBL14036778 0.77 LMNA (0.52) ADRA1DADRA1AADRA1BCYP1A2ADRA2A
SCHEMBL5883185 0.76 LMNA (0.40) CYP1A2SMN1; SMN2KDM4ELMNAGAA
SCHEMBL11196471 0.73 CYP1A2 (0.49) ADRA1DADRA1AADRA1BCYP1A2ADRA2A
SCHEMBL10063476 0.73 TDP1 (0.38) ADRA1DADRA1AADRA1BCYP1A2ADRA2A
SCHEMBL13049121 0.71 GRIA1 (0.42) CYP1A2CYP2D6PKMSMN1; SMN2KDM4E
SCHEMBL28187110 0.71 GAA (0.48) ADRA1DADRA1AADRA1BCYP1A2ADRA2A
SCHEMBL9500070 0.70 ALDH1A1 (0.57) SMN1; SMN2KDM4ETSHRMAPK1ALDH1A1
SCHEMBL14036780 0.70 KDM4E (0.36) ADRA1DADRA1AADRA1BCYP1A2ADRA2A

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