SCHEMBL831617

SCHEMBL831617

CCC(C(=O)O)n1c2c(c3ccccc31)CC(NC(=O)OCc1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ACHE P22303 2/20 0.48
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TLR4 O00206 1/20 0.41
DPP4 P27487 4/20 0.40
DPP7 Q9UHL4 4/20 0.40
KCNH2 Q12809 1/20 0.40
EPHX1 P07099 1/20 0.40
GPR55 Q9Y2T6 2/20 0.40
HSD11B1 P28845 1/20 0.39

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
SCHEMBL1905551 1.00 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL1903304 1.00 CA1 (0.48) CA1CA2ACHEALDH1A1GAA
SCHEMBL1908128 0.92 CA1 (0.43) CA1CA2ACHEALDH1A1GAA
SCHEMBL1902874 0.92 CA1 (0.43) CA1CA2ACHEALDH1A1GAA
SCHEMBL1902871 0.92 CA1 (0.43) CA1CA2ACHEALDH1A1GAA
SCHEMBL1904812 0.91 PTGDR2 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL1904813 0.91 PTGDR2 (0.49) CA1CA2ACHEALDH1A1GAA
SCHEMBL1898544 0.90 CA1 (0.39) CA1CA2ACHETSHRMEN1
SCHEMBL1904450 0.90 CA1 (0.39) CA1CA2ACHETSHRMEN1
SCHEMBL1898546 0.90 CA1 (0.39) CA1CA2ACHETSHRMEN1

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-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
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