SCHEMBL18906006

SCHEMBL18906006

O=C(NCCCO)c1ccco1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.83
SMN1; SMN2 Q16637 5/20 0.81
PKM P14618 2/20 0.81
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TMEM97 Q5BJF2 1/20 0.63
KMT2A Q03164 4/20 0.59
HPGD P15428 1/20 0.58
MEN1 O00255 3/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
TSHR P16473 2/20 0.57

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
SCHEMBL18906003 0.89 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL16266236 0.89 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL18906002 0.85 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL10737650 0.85 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL3092684 0.85 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL14996212 0.83 SMN1; SMN2 (0.81) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL27905947 0.82 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL9827939 0.82 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL15999997 0.82 SMN1; SMN2 (0.84) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL9784444 0.82 SMN1; SMN2 (0.84) ALDH1A1SMN1; SMN2PKMNPC1RAB9A

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
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed