SCHEMBL12835336

SCHEMBL12835336

CCCCOC(=O)c1ccc(NC(=O)c2ccccc2C=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.70
▸ MAPT P10636 4/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ RAB9A P51151 5/20 0.60
▸ HTT P42858 1/20 0.60
▸ HPGD P15428 2/20 0.60
▸ RECQL P46063 1/20 0.60
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ PPARA Q07869 1/20 0.59
▸ GPR35 Q9HC97 1/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ TSHR P16473 1/20 0.55

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
SCHEMBL12173053 0.84 KMT2A (0.78) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL9099628 0.81 TSHR (0.73) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL10943491 0.81 HPGD (0.78) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL9099049 0.77 TSHR (0.73) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL12700202 0.77 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL13927144 0.76 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL2639485 0.76 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL9101156 0.76 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL10943133 0.76 RAB9A (0.86) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL12173050 0.74 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MAPTMAPK1RAB9A

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
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 — — WO disclosed
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