SCHEMBL6280878

SCHEMBL6280878

Cc1ncc(C(O)(F)P(=O)(O)O)c(C)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.40
▸ PTPN2 P17706 3/20 0.40
▸ PTPRB P23467 3/20 0.40
▸ PTPN6 P29350 3/20 0.40
▸ PTPN11 Q06124 3/20 0.40
▸ PTPRC P08575 3/20 0.40
▸ CDC25A P30304 1/20 0.39
▸ ALPG P10696 1/20 0.37
▸ PTK2B Q14289 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ FDPS P14324 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 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
SCHEMBL10247270 0.72 PTPN1 (0.49) PTPN1TSHRL3MBTL1MAPTMAPK1
SCHEMBL5664859 0.70 L3MBTL1 (0.44) PTPN1L3MBTL1MAPTMAPK1TDP1
SCHEMBL4049346 0.69 CCNB2 (0.43) PTPN1L3MBTL1MAPTMAPK1TDP1
SCHEMBL19755568 0.69 LMNA (0.53) PTPN1TSHRL3MBTL1MAPTTDP1
SCHEMBL6702230 0.68 LMNA (0.40) PTPN1ALPGPTK2BTSHRL3MBTL1
SCHEMBL5665055 0.68 POLB (0.49) PTPN1L3MBTL1LMNAPOLBGAA
SCHEMBL10247058 0.67 PTPN1 (0.47) PTPN1TSHRL3MBTL1MAPTMAPK1
Hydrochloric Acid SCHEMBL18838680 0.66 L3MBTL1 (0.42) PTPN1TSHRL3MBTL1MAPTMAPK1
SCHEMBL5665433 0.65 L3MBTL1 (0.42) PTPN1TSHRL3MBTL1MAPTMAPK1
SCHEMBL82592 0.65 THRB (0.43) PTPN1L3MBTL1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606295-A1 HETEROARYL PHOSPHONATES, COMPOSITIONS CONTAINING THEM AND METHODS OF TREATMENT OF VARIOUS DISORDERS USING THEM Medicure Inc. (CA) 2005-12-21 — — EP disclosed
WO-2004083222-A1 NOVEL HETEROARYL PHOSPHONATES AS CARDIOPROTECTIVE AGENTS MEDICURE INC. (CA) 2004-09-30 — — WO disclosed
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