SCHEMBL8828879

SCHEMBL8828879

CCCCCC1=NCC(=O)CN1CCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
MGLL Q99685 3/20 0.33
FAAH O00519 2/20 0.33
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32
G6PD P11413 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL5613182 0.73 CYP1A2 (0.39) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL11138036 0.71 MEN1 (0.39) GBA1ALDH1A1CYP1A2CYP2D6ALOX5
SCHEMBL4665795 0.71 MEN1 (0.39) GBA1ALDH1A1CYP1A2CYP2D6ALOX5
SCHEMBL9787947 0.71 MEN1 (0.39) GBA1ALDH1A1CYP1A2CYP2D6ALOX5
SCHEMBL28300124 0.71 MEN1 (0.39) GBA1ALDH1A1CYP1A2CYP2D6ALOX5
Ethylene SCHEMBL27432416 0.69 MEN1 (0.38) GBA1ALDH1A1CYP1A2CYP2D6ALOX5
SCHEMBL15805648 0.69 GBA1 (0.42) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL8597006 0.68 ALDH1A1 (0.44) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL5755608 0.67 MGLL (0.43) GBA1ALDH1A1GAAMAPTTHRB
SCHEMBL1714451 0.67 MAPT (0.37) ALDH1A1GAAMAPTTHRBMGLL

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
US-5629264-A 2-aryl-5,6-dihydropyrimidinones and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1997-05-13 US disclosed
EP-0733622-A1 2-Aryl-5,6-dihydropyrimidinones and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1996-09-25 EP disclosed