SCHEMBL4747587

SCHEMBL4747587

O=[N+]([O-])c1ccccc1CCOP(=O)(O)Oc1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 10/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.37
GPR35 Q9HC97 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 2/20 0.36
KCNMA1 Q12791 1/20 0.36
MEN1 O00255 1/20 0.36
MAOB P27338 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9150106 1.00 NPC1 (0.42) NPC1RAB9ARECQLALDH1A1TSHR
SCHEMBL12125185 0.80 ALDH1A1 (0.45) NPC1RAB9ARECQLALDH1A1TSHR
SCHEMBL4742693 0.80 ALDH1A1 (0.50) NPC1RAB9ARECQLALDH1A1TSHR
SCHEMBL4742682 0.80 ALDH1A1 (0.50) NPC1RAB9ARECQLALDH1A1TSHR
SCHEMBL21314193 0.75 GAA (0.49) NPC1RAB9AALDH1A1TSHRGAA
SCHEMBL27519831 0.74 GAA (0.47) NPC1RAB9AALDH1A1TSHRGAA
SCHEMBL2912362 0.73 RAB9A (0.47) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL9367346 0.73 ALDH1A1 (0.50) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL2474283 0.73 ALDH1A1 (0.56) NPC1RAB9ARECQLALDH1A1KDM4E
SCHEMBL30679480 0.73 ALDH1A1 (0.56) NPC1RAB9ARECQLALDH1A1KDM4E

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-5444541-A Beaming stimulating electromagnetic pulse onto liquid sample including proton emitter, measuring energy input and output, detecting acoustic output with transducer, storing data EASTERN WASHINGTON UNIVERSITY (US) 1995-08-22 US claimed
WO-2008124202-A2 HOLLOW MICROSPHERE PARTICLES BECKMAN COULTER, INC. (US) 2008-10-16 WO disclosed
US-5444541-A Beaming stimulating electromagnetic pulse onto liquid sample including proton emitter, measuring energy input and output, detecting acoustic output with transducer, storing data EASTERN WASHINGTON UNIVERSITY (US) 1995-08-22 US disclosed