SCHEMBL9424924

SCHEMBL9424924

CCC(C)(C(=O)O)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.51
GAA P10253 5/20 0.51
HPGD P15428 7/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 8/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
MAPK1 P28482 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44

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
SCHEMBL1492728 0.84 CYP2C19 (0.50) MAPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL28727593 0.82 CYP2C19 (0.48) MAPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL28938744 0.82 CYP2C19 (0.48) MAPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL9432011 0.81 CYP1A2 (0.40) MAPTHPGDRAB9AALDH1A1HDAC1
SCHEMBL28729111 0.80 CYP2C19 (0.47) MAPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8494650 0.78 SMN1; SMN2 (0.47) MAPTRAB9AALDH1A1HDAC3HDAC1
SCHEMBL27934590 0.78 ALDH1A1 (0.49) HPGDRAB9AALDH1A1MEN1KMT2A
SCHEMBL9473731 0.77 ALDH1A1 (0.52) MAPTGAAHPGDRAB9AALDH1A1
SCHEMBL28915433 0.77 NPC1 (0.46) MAPTGAAHPGDRAB9AALDH1A1
SCHEMBL8148677 0.77 ESR1 (0.52) HPGDALDH1A1MEN1KMT2ALMNA

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-5290936-A Indicators or labels for antibodies or medical diagnosis LONDON DIAGNOSTICS, INC. (US) 1994-03-01 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5283334-A Side-chain functional chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-01 US disclosed