SCHEMBL27934849

SCHEMBL27934849

CCCOS(=O)(=O)N(CC)c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
POLB P06746 3/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 1/20 0.46
TP53 P04637 1/20 0.44
LMNA P02545 4/20 0.44
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 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
SCHEMBL31384788 0.81 ESR1 (0.50) POLBALDH1A1HSD17B10LMNARECQL
SCHEMBL28649489 0.81 ALDH1A1 (0.46) HTTPOLBALDH1A1HPGDHSD17B10
SCHEMBL2696214 0.78 POLB (0.61) HTTPOLBALDH1A1HPGDHSD17B10
SCHEMBL5229558 0.76 HTT (0.58) HTTPOLBALDH1A1HPGDHSD17B10
SCHEMBL8558804 0.76 HTT (0.55) HTTPOLBALDH1A1HPGDHSD17B10
Cyclopropane SCHEMBL27934850 0.73 HTT (0.51) HTTPOLBALDH1A1HPGDHSD17B10
SCHEMBL11521611 0.70 KMT2A (0.49) ALDH1A1KMT2AMEN1
SCHEMBL10211704 0.69 ALDH1A1 (0.51) HTTPOLBALDH1A1HPGDHSD17B10
SCHEMBL9872251 0.69 CYP3A4 (0.45) HTTALDH1A1HPGDHSD17B10GAA
SCHEMBL26348347 0.68 RECQL (0.46) HTTPOLBALDH1A1HPGDHSD17B10

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
CN-103278468-A Creatinine detection reagent NINGBO MEDICAL BIOLOG TECHNOLOGY CO LTD 2013-09-04 CN disclosed