SCHEMBL1829563

SCHEMBL1829563

CC(C)CCC(C)Nc1ccccc1Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 4/20 0.49
CYP3A4 P08684 3/20 0.49
TSHR P16473 3/20 0.49
ALOX12 P18054 2/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 3/20 0.43
RECQL P46063 2/20 0.43
ATM Q13315 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL29734967 1.00 ALOX15 (0.49) ALOX15ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL11203732 1.00 ALOX15 (0.49) ALOX15ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4488310 0.87 MAPK1 (0.41) ALOX15ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL11350592 0.86 ALDH1A1 (0.45) ALOX15ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL29377523 0.84 ALDH1A1 (0.69) ALOX15ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL108060 0.84 ALDH1A1 (0.69) ALOX15ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL11342721 0.83 KCNH3 (0.45) ALOX15ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL6684312 0.82 ALDH1A1 (0.40) ALOX15ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL3690060 0.82 ALDH1A1 (0.50) ALOX15ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL201628 0.82 ALDH1A1 (0.71) ALOX15ALDH1A1HSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4927519-A PHOSPHONATE PHENATE SULFIDE, ANTIOXIDANT, CORROSION INHIBITOR, METAL DEACTIVATOR BETZ LABORATORIES, INC. (US) 1990-05-22 US claimed
EP-3233929-A1 COLOR-STABLE NITRILE RUBBERS ARLANXEO Deutschland GmbH (DE) 2017-10-25 EP disclosed
WO-2016096352-A1 COLOR-STABLE NITRILE RUBBERS LANXESS DEUTSCHLAND GMBH (DE) 2016-06-23 WO disclosed
EP-2152760-B1 NITRILE RUBBERS LANXESS DEUTSCHLAND GMBH (DE) 2011-05-04 EP disclosed
EP-1438277-A2 RECYCLE OF NITROXYL-CONTAINING STREAMS AT LOW TEMPERATURE Uniroyal Chemical Company, Inc. (US) 2004-07-21 EP disclosed
WO-2002010100-A2 RECYCLE OF NITROXYL-CONTAINING STREAMS AT LOW TEMPERATURE UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-02-07 WO disclosed