SCHEMBL833859

SCHEMBL833859

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNA3 P22001 1/20 0.41
DRD2 P14416 2/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
USP14 P54578 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
TBXA2R P21731 3/20 0.38
PTGDR Q13258 3/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK8 P45983 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2489546 1.00 KMT2A (0.42) KMT2AL3MBTL1KCNA3DRD2KDM1A
SCHEMBL1900255 1.00 KMT2A (0.42) KMT2AL3MBTL1KCNA3DRD2KDM1A
SCHEMBL833094 0.88 POLB (0.42) KMT2APTGDR2TBXA2RPTGDRPOLB
SCHEMBL1902245 0.88 PTGDR2 (0.48) PTGDR2
SCHEMBL1901733 0.88 PTGDR2 (0.48) PTGDR2
SCHEMBL1901732 0.88 PTGDR2 (0.48) PTGDR2
SCHEMBL1898546 0.88 CA1 (0.39) KMT2APTGDR2TBXA2RPTGDRPOLB
SCHEMBL1904450 0.88 CA1 (0.39) KMT2APTGDR2TBXA2RPTGDRPOLB
SCHEMBL1898544 0.88 CA1 (0.39) KMT2APTGDR2TBXA2RPTGDRPOLB
SCHEMBL832476 0.87 KMT2A (0.41) KMT2AL3MBTL1KCNA3DRD2KDM1A

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