SCHEMBL5884308

SCHEMBL5884308

CON=Cc1cccc(OCCCC2CCCN(c3ccc(C)nn3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAP4K4 O95819 1/20 0.34
GLS O94925 6/20 0.34
HRH3 Q9Y5N1 4/20 0.33
NR1I2 O75469 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL5883881 0.92 L3MBTL1 (0.34) ALDH1A1L3MBTL1POLBNPC1RAB9A
SCHEMBL5884729 0.90 NPC1 (0.37) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5884627 0.89 L3MBTL1 (0.33) ALDH1A1L3MBTL1POLBNPC1RAB9A
SCHEMBL5884436 0.88 FFAR1 (0.33) ALDH1A1L3MBTL1POLBNPC1RAB9A
SCHEMBL5884326 0.86 NPC1 (0.38) POLBNPC1RAB9ASMN1; SMN2GLS
SCHEMBL5884368 0.81 NPC1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MAP4K4
SCHEMBL5884646 0.81 SMN1; SMN2 (0.40) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5883890 0.81 DGAT1 (0.35) POLBNPC1RAB9ASMN1; SMN2GLS
SCHEMBL5884946 0.80 MEN1 (0.33) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5884473 0.80 FFAR1 (0.38) ALDH1A1POLBNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed