SCHEMBL10728965

SCHEMBL10728965

CCCCCCCCCCCCCCCCCCONc1ccc(C(=O)O)c(CC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 6/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PLA2G2A P14555 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41

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
SCHEMBL2922856 0.84 ALDH1A1 (0.39) TSHRMEN1KMT2A
SCHEMBL5025350 0.77 PLK1 (0.49) S1PR3PLK1
SCHEMBL8974262 0.77 PTPN11 (0.64) PTPN11PLK1PLA2G2ATP53TSHR
Benzoic Acid SCHEMBL27379188 0.74 TP53 (0.55) PLA2G2ATP53TSHRPLA2G4B
SCHEMBL8856987 0.74 GABRP (0.42) TSHRMEN1KMT2A
Carbamic Acid SCHEMBL28182397 0.74 LMNA (0.50) TP53TSHRMEN1KMT2A
SCHEMBL9064238 0.73 PTPN11 (0.59) PTPN11PLK1PLA2G2ATP53TSHR
SCHEMBL11145039 0.73 PLK1 (0.47) S1PR3PPARAPLK1
SCHEMBL1839262 0.72 MAPT (0.54) TSHRMEN1KMT2A
SCHEMBL808654 0.72 NR5A1 (0.58) TP53TSHR

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-4713165-A Sensor having ion-selective electrodes ILEX CORPORATION (US) 1987-12-15 — — US disclosed
EP-0230449-A1 SENSOR HAVING ION-SELECTIVE ELECTRODES EOS TECHNOLOGY CORPORATION (US) 1987-08-05 — — EP disclosed
WO-1987000286-A1 SENSOR HAVING ION-SELECTIVE ELECTRODES ILEX CORPORATION (US) 1987-01-15 — — WO disclosed
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