SCHEMBL1461355

SCHEMBL1461355

CC1(C)CC(=O)C(S(=O)(=O)Cl)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
ALDH1A1 P00352 11/20 0.38
KMT2A Q03164 5/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
MAOA P21397 1/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7527557 0.81 MAPT (0.50) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL432006 0.70 MAPT (0.54) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL24421946 0.69 MAPT (0.47) MAPTALDH1A1KMT2APOLBKDM4E
SCHEMBL368265 0.67 MAPT (0.56) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL11101159 0.67 MAOA (0.41) MAPTALDH1A1POLBTSHRKDM4E
SCHEMBL305185 0.65 MAPT (0.54) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL20036958 0.65 MAPT (0.54) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL9348170 0.65 MAPT (0.54) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL27498457 0.65 MAPT (0.54) MAPTALDH1A1KMT2APOLBTSHR
Bromide SCHEMBL3997504 0.64 MAPT (0.52) MAPTALDH1A1KMT2APOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475643-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-07-18 EP disclosed
WO-2011026959-A1 NOVEL ETHANE DIAMINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-10 WO disclosed
US-4432984-A Anti-hypertensive benzodioxan derivatives Bouchara, Emile (FR) 1984-02-21 US disclosed