SCHEMBL1908128

SCHEMBL1908128

CCC(C(=O)O)n1c2c(c3ccccc31)C[C@H](NC(=O)OCCOCc1ccccc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43
NAAA Q02083 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
TSHR P16473 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35
POLB P06746 1/20 0.35
TLR4 O00206 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
SCHEMBL1902871 1.00 CA1 (0.43) CA1CA2ACHENAAAMEN1
SCHEMBL1902874 1.00 CA1 (0.43) CA1CA2ACHENAAAMEN1
SCHEMBL1903304 0.92 CA1 (0.48) CA1CA2ACHEMEN1KMT2A
SCHEMBL1905551 0.92 CA1 (0.48) CA1CA2ACHEMEN1KMT2A
SCHEMBL831617 0.92 CA1 (0.48) CA1CA2ACHEMEN1KMT2A
SCHEMBL1898544 0.90 CA1 (0.39) CA1CA2ACHEMEN1KMT2A
SCHEMBL1898546 0.90 CA1 (0.39) CA1CA2ACHEMEN1KMT2A
SCHEMBL1904450 0.90 CA1 (0.39) CA1CA2ACHEMEN1KMT2A
SCHEMBL1900859 0.87 PTGDR2 (0.40) ALDH1A1PTGDR2TBXA2RPTGDRPOLB
SCHEMBL1900856 0.87 PTGDR2 (0.40) ALDH1A1PTGDR2TBXA2RPTGDRPOLB

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-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed