SCHEMBL5796665

SCHEMBL5796665

CCOC(=O)/C=C(\C(=O)OC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 4/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.38
EPHX2 P34913 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
SCHEMBL5793944 0.85 SMN1; SMN2 (0.49) TSHRSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL5794078 0.83 MAPT (0.46) SMN1; SMN2HPGDALDH1A1MAPTKMT2A
SCHEMBL4154993 0.80 TSHR (0.46) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL4154987 0.80 TSHR (0.46) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL4154989 0.80 TSHR (0.46) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL24501487 0.80 TSHR (0.46) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL29830598 0.80 TSHR (0.46) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL29830745 0.80 TSHR (0.46) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL31749569 0.79 TSHR (0.45) TSHRSMN1; SMN2HPGDMAPTMAPK1
SCHEMBL7071171 0.79 MAPT (0.46) TSHRSMN1; SMN2HPGDMAPTMAPK1

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
WO-2006013399-A1 PHARMACEUTICAL INTERMEDIATES AND A PROCESS FOR THE PREPARATION THEREOF EGIS Gyógyszergyár Rt. (HU) 2006-02-09 WO claimed
WO-2006013399-A1 PHARMACEUTICAL INTERMEDIATES AND A PROCESS FOR THE PREPARATION THEREOF EGIS Gyógyszergyár Rt. (HU) 2006-02-09 WO disclosed