SCHEMBL9814417

SCHEMBL9814417

C=Cc1ccc(C(=O)OC2CO2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.38
PTPN2 P17706 4/20 0.38
PTPRF P10586 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PTPN6 P29350 2/20 0.36
PTPN11 Q06124 2/20 0.36
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SNCA P37840 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
SCHEMBL14527850 0.83 NPC1 (0.39) ALDH1A1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL3283929 0.82 MEN1 (0.41) PTPN1ALDH1A1TAS1R3TAS1R1NPC1
SCHEMBL1902969 0.79 TAS1R3 (0.36) PTPN1PTPN2PTPRFALDH1A1TAS1R3
SCHEMBL18288929 0.78 MAPT (0.44) PTPN1PTPN2PTPRFNPC1RAB9A
SCHEMBL1902381 0.77 TAS1R3 (0.39) ALDH1A1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL10338863 0.77 BCHE (0.53) BCHE
SCHEMBL1470081 0.76 MGLL (0.46) ALDH1A1TAS1R3TAS1R1NPC1SMN1; SMN2
SCHEMBL1900169 0.76 PTPN1 (0.39) PTPN1PTPN2PTPRFPTPN6PTPN11
SCHEMBL10995636 0.75 BCHE (0.51) BCHE
SCHEMBL1899821 0.74 PTPN1 (0.40) PTPN1PTPN2PTPRFPTPN6PTPN11

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
EP-0211104-B1 COMPOSITES Nippon Shiken Dental Co., Ltd. (JP) 1991-08-21 EP disclosed
US-4705836-A Polymerization composition containing vinyl benzoic acid or a derivative thereof and a vinyl compound NIPPON SHIKEN DENTAL CO., LTD. (JP) 1987-11-10 US disclosed
EP-0211104-A2 Composites Nippon Shiken Dental Co., Ltd. (JP) 1987-02-25 EP disclosed