SCHEMBL16858005

SCHEMBL16858005

O=C(O)[C@H](CO)N(CO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD2 O60906 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL27779216 0.85 SMPD2 (0.38) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL30401308 0.85 TSHR (0.47) SMPD2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL7420130 0.84 CYP1A2 (0.48) NPSR1ALDH1A1CYP1A2
SCHEMBL3272399 0.84 NPC1 (0.44) ALDH1A1KMT2ANPC1POLBHTT
SCHEMBL7420127 0.84 CYP1A2 (0.48) NPSR1ALDH1A1CYP1A2
SCHEMBL21776703 0.80 NPSR1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL3286896 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9AGLATSHR
SCHEMBL3286898 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9AGLATSHR
SCHEMBL29442908 0.78 NPSR1 (0.40) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL10381409 0.77 ALDH1A1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1

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
EP-2604697-B1 Triprenyl phenol compounds, process for their production and use as thrombolysis enhancer UNIV TOKYO AGRICULTURE & TECHNOLOGY TLO CO LTD (JP) 2015-07-01 EP claimed