SCHEMBL371317

SCHEMBL371317

CCC(=O)c1c(-c2ccccc2C)cc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.36
▸ PADI4 Q9UM07 2/20 0.36
▸ MET P08581 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12505693 0.73 BRD4 (0.46) MAPTPTGESALOX5ALDH1A1KDM4E
SCHEMBL28563542 0.71 NPC1 (0.47) ALDH1A1KDM4EKMT2AHPGDBRD4
SCHEMBL17111287 0.68 MEN1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL14241162 0.66 NR1H4 (0.53) MAPTSMN1; SMN2L3MBTL1
Bicarbonate SCHEMBL8972762 0.66 MYC (0.54) PPARGPPARAALDH1A1KDM4ESMN1; SMN2
SCHEMBL3403133 0.65 NAPRT (0.60) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL19952897 0.65 MAPT (0.54) PARP1PADI4MAPTALDH1A1KDM4E
SCHEMBL16386608 0.65 ALDH1A1 (0.57) MAPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2223763 0.64 NOTUM (0.45) PARP1PADI4ALDH1A1KDM4EL3MBTL1
SCHEMBL3182684 0.64 SMN1; SMN2 (0.37) PARP1PADI4MAPTALDH1A1KDM4E

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
Send feedback