SCHEMBL11280682

SCHEMBL11280682

CCCOC(=O)CNCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
HCAR2 Q8TDS4 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
LMNA P02545 2/20 0.37
LTA4H P09960 3/20 0.37
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPM1B O75688 1/20 0.35
PTPN1 P18031 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
SCHEMBL5932614 0.91 NAAA (0.41) CA1CA2HCAR2LMNALTA4H
SCHEMBL10698634 0.88 NAAA (0.47) CA1CA2HCAR2LMNALTA4H
SCHEMBL11198736 0.86 NAAA (0.55) CA1CA2HCAR2NAAADGKA
SCHEMBL5497225 0.85 NAAA (0.58) HCAR2NAAADGKAALDH1A1PTPN1
SCHEMBL11184933 0.85 NAAA (0.58) HCAR2NAAADGKAALDH1A1PTPN1
SCHEMBL565701 0.83 GAA (0.54) CA1CA2EGLN1LTA4HALDH1A1
SCHEMBL23505870 0.83 NAAA (0.39) HCAR2LMNALTA4HNAAADGKA
SCHEMBL17970768 0.81 CA1 (0.46) CA1CA2HCAR2LMNALTA4H
SCHEMBL892182 0.81 CA1 (0.46) CA1CA2EGLN1LTA4H
Hydrochloric Acid SCHEMBL28426151 0.81 GAA (0.52) CA1CA2EGLN1LTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4358546-A Spherical porous cross-linked copolymers of chloromethylstyrene and divinylbenzene and the derivative thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-11-09 US disclosed