SCHEMBL13535002

SCHEMBL13535002

O=C(O)C1Sc2ccccc2C(=O)C1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.37
HBB P68871 1/20 0.37
HSD17B10 Q99714 4/20 0.36
GLA P06280 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGS1 P23219 1/20 0.34
ADRA1A P35348 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
SCHEMBL10411385 0.81 HTT (0.36) HTTMAPTALOX15HBBHSD17B10
SCHEMBL11638629 0.71 HSD17B10 (0.36) HTTMAPTALOX15HBBHSD17B10
SCHEMBL6980401 0.70 EDNRB (0.43) HTTMAPTALOX15HBBHSD17B10
SCHEMBL68097 0.70 PIM1 (0.39) HTTMAPTALOX15HBBHSD17B10
SCHEMBL68089 0.69 MAPT (0.53) HTTMAPTALOX15HBBHSD17B10
Fluoride SCHEMBL11420106 0.69 HSD17B10 (0.35) HTTMAPTALOX15HBBHSD17B10
SCHEMBL13940537 0.69 MEN1 (0.41) HTTMAPTALOX15HSD17B10LMNA
SCHEMBL13603804 0.68 EDNRB (0.48) HTTMAPTALOX15HBBEDNRB
SCHEMBL10381886 0.68 ALDH1A1 (0.43) HTTMAPTALOX15HBBHSD17B10
SCHEMBL11420110 0.67 ALDH1A1 (0.33) HTTMAPTHBBHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-20100015360-A1 AQUEOUS INK COMPOSITION, AQUEOUS INK COMPOSITION FOR INKJET RECORDING, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
US-20100015360-A1 AQUEOUS INK COMPOSITION, AQUEOUS INK COMPOSITION FOR INKJET RECORDING, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-01-21 US disclosed
EP-2145932-A1 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method Fujifilm Corporation (JP) 2010-01-20 EP disclosed