SCHEMBL9804162

SCHEMBL9804162

Cc1cc(CCCCCCCOc2nc3ccccc3o2)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.39
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CNR2 P34972 8/20 0.38
LTA4H P09960 4/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 2/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL9436495 0.82 CHRNB4 (0.53) KCNH2
SCHEMBL14499366 0.81 CYP1A2 (0.39) NR1I2CYP3A4CYP2D6NPC1RAB9A
SCHEMBL9436119 0.80 PTGS2 (0.40) KMT2AMEN1ALDH1A1NR1I2CYP3A4
SCHEMBL11032320 0.77 MEN1 (0.51) KMT2AMEN1ALDH1A1NR1I2CYP3A4
SCHEMBL10642084 0.76 ALDH1A1 (0.55) KMT2AALDH1A1CNR2LTA4HMAPT
SCHEMBL9803998 0.76 MEN1 (0.46) KMT2AMEN1ALDH1A1NR1I2CYP3A4
SCHEMBL14499365 0.76 CYP1A2 (0.41) NR1I2CYP3A4CYP2D6NPC1RAB9A
SCHEMBL9804050 0.75 KMT2A (0.42) KMT2AMEN1ALDH1A1NR1I2CYP3A4
SCHEMBL9804051 0.75 HTT (0.47) KMT2AMEN1ALDH1A1NR1I2CYP3A4
SCHEMBL9804036 0.75 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPTNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US claimed
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed
EP-0335636-A1 Antiviral compounds SYNPHAR LABORATORIES INC. (CA) 1989-10-04 EP disclosed