SCHEMBL4593472

SCHEMBL4593472

CCc1cc(NCC(=O)O)ccc1P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ EGFR P00533 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ FABP4 P15090 2/20 0.33
▸ HSD17B14 Q9BPX1 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP10 P09238 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL8668410 0.80 EGFR (0.40) CA12CA1CA2CA9EGFR
SCHEMBL157472 0.72 CA2 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL5692310 0.70 ALDH1A1 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL10955013 0.70 ALDH1A1 (0.52) SRCCA12CA1CA2ALDH1A1
SCHEMBL11685127 0.70 POLB (0.45) SRCALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL7932410 0.70 ESR1 (0.39) CA12CA1CA2CA9EGFR
SCHEMBL28670574 0.69 LMNA (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL9515176 0.69 EGFR (0.42) CA12CA1CA2CA9EGFR
SCHEMBL21518479 0.68 ALDH1A1 (0.58) CA12CA1CA2ALDH1A1GAA
SCHEMBL808952 0.68 CYP2A6 (0.48) ALDH1A1GAAMAPTAGTR1SMN1; SMN2

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
EP-1404864-A4 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS UNIV ROCKEFELLER (US) 2008-05-28 — — EP disclosed
US-7129073-B2 Regulation of neuronal function through metabotropic glutamate receptor signaling pathways THE ROCKEFELLER UNIVERSITY (US) 2006-10-31 — — US disclosed
US-20060223158-A1 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-10-05 — — US disclosed
EP-1404864-A2 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS THE ROCKEFELLER UNIVERSITY (US) 2004-04-07 — — EP disclosed
WO-2002102768-A2 REGULATION OF NEURONAL FUNCTION THROUGH METABOTROPIC GLUTAMATE RECEPTOR SIGNALING PATHWAYS THE ROCKEFELLER UNIVERSITY (US) 2002-12-27 — — WO disclosed
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