SCHEMBL14036774

SCHEMBL14036774

CNCc1cc(C(C)C)c(OC)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
POLB P06746 2/20 0.51
GFER P55789 1/20 0.51
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SOS1 Q07889 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL14036680 0.85 SLC6A4 (0.43) GAAPOLBGFERMAPTSMN1; SMN2
SCHEMBL14036621 0.81 MEN1 (0.49) GAAPOLBGFERMAPTSMN1; SMN2
SCHEMBL12425507 0.81 POLB (0.56) GAAPOLBGFERMAPTALDH1A1
SCHEMBL5014668 0.79 POLB (0.59) GAAPOLBGFERMAPTALDH1A1
SCHEMBL11079472 0.79 POLB (0.50) GAAPOLBGFERMAPTALDH1A1
SCHEMBL14036803 0.78 GAA (0.43) GAAPOLBGFERMAPTSMN1; SMN2
SCHEMBL14036690 0.78 GAA (0.43) GAAPOLBGFERMAPTSMN1; SMN2
SCHEMBL5013641 0.78 POLB (0.43) GAAPOLBGFERMAPTSMN1; SMN2
SCHEMBL20969580 0.77 TAAR1 (0.57) GAAPOLBGFER
SCHEMBL7904417 0.76 POLB (0.47) GAAPOLBGFERMAPTALDH1A1

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