SCHEMBL7328937

SCHEMBL7328937

CC(COc1ccc(Cl)c(Cl)c1)CC(C)OC(=O)C(=O)ON1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.37
FKBP1A P62942 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 3/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36

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
Oxalic Acid SCHEMBL7328932 0.78 KDM4E (0.48) KDM4EALDH1A1KMT2AFKBP1ANPC1
SCHEMBL7328952 0.77 KDM4E (0.52) KDM4EALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL16370933 0.67 L3MBTL1 (0.71) KDM4EALDH1A1KMT2ALMNASMN1; SMN2
Oxalic Acid SCHEMBL7328944 0.66 KDM4E (0.50) KDM4EALDH1A1KMT2ALMNATHRB
SCHEMBL7328956 0.64 ALDH1A1 (0.56) KDM4EALDH1A1KMT2ANPC1LMNA
SCHEMBL16370936 0.63 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AFKBP1ANPC1
SCHEMBL28001062 0.63 LMNA (0.53) KDM4EALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL27983752 0.63 ALDH1A1 (0.50) ALDH1A1KMT2ATHRBSMN1; SMN2POLB
SCHEMBL3822896 0.62 L3MBTL1 (0.41) KDM4EALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL16463810 0.62 TSHR (0.43) KDM4EALDH1A1KMT2AFKBP1ASMN1; SMN2

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
EP-0629190-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP disclosed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO disclosed