SCHEMBL3486863

SCHEMBL3486863

O=[C]CNc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
THRB P10828 2/20 0.48
ALOX12 P18054 1/20 0.48
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 12/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 5/20 0.41
LMNA P02545 4/20 0.41
TP53 P04637 3/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM1A O60341 1/20 0.39
APAF1 O14727 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
SCHEMBL31678986 0.79 MAPT (0.48) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL6805636 0.79 MAPT (0.48) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7110060 0.77 POLB (0.51) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL8707595 0.77 MAPT (0.61) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL1368372 0.76 IDO1 (0.59) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL11120012 0.75 PSIP1 (0.48) MAPTALDH1A1GAALMNANPC1
SCHEMBL13736441 0.75 MAPT (0.57) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL14511403 0.75 MAPT (0.44) MAPTKMT2AMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28211867 0.74 IDO1 (0.57) MAPTKMT2AMEN1KDM4EALDH1A1
Acetic Acid SCHEMBL29786178 0.73 KDM4E (0.49) MAPTKMT2AMEN1KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293511-B2 Production of β-Lactam antibiotics DSM IP ASSETS B.V. (NL) 2012-10-23 US disclosed
US-20100009404-A1 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2010-01-14 US disclosed
EP-2084270-A2 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSMIP Assets B.V. (NL) 2009-08-05 EP disclosed
WO-2008040731-A3 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSM IP ASSETS BV (NL) 2008-05-22 WO disclosed
WO-2008040731-A2 PRODUCTION OF BETA-LACTAM ANTIBIOTICS DSM IP ASSETS B.V. (NL) 2008-04-10 WO disclosed