SCHEMBL7328952

SCHEMBL7328952

CC(COc1ccc(Cl)c(Cl)c1)CC(C)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SIGMAR1 Q99720 4/20 0.39
DHFR P00374 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 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
Oxalic Acid SCHEMBL7328932 0.93 KDM4E (0.48) KDM4EALDH1A1NPC1KMT2AMEN1
SCHEMBL7328937 0.77 KDM4E (0.44) KDM4EALDH1A1NPC1KMT2AMEN1
SCHEMBL16370933 0.72 L3MBTL1 (0.71) KDM4EALDH1A1KMT2ASIGMAR1L3MBTL1
SCHEMBL24352743 0.72 FKBP1A (0.57) ALDH1A1NPC1KMT2AMEN1SIGMAR1
SCHEMBL7328956 0.71 ALDH1A1 (0.56) KDM4EALDH1A1NPC1KMT2ASIGMAR1
SCHEMBL16370936 0.70 ALDH1A1 (0.46) KDM4EALDH1A1NPC1KMT2AMEN1
SCHEMBL25299662 0.69 TSHR (0.57) KDM4EALDH1A1NPC1KMT2AMEN1
SCHEMBL8682004 0.67 PNMT (0.50) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL28001062 0.67 LMNA (0.53) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8682006 0.67 PNMT (0.50) KDM4EALDH1A1KMT2ASMN1; 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 claimed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO claimed