SCHEMBL3954353

SCHEMBL3954353

O=C(C1COCC[N]1)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
ALDH1A1 P00352 6/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TFPI2 P48307 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
CNR2 P34972 2/20 0.30

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
SCHEMBL3060452 0.73 HPGD (0.48) HPGDALDH1A1HSD11B1SMN1; SMN2TSHR
SCHEMBL2228924 0.72
SCHEMBL3950467 0.72 HPGD (0.52) HPGDALDH1A1HSD11B1SMN1; SMN2TSHR
SCHEMBL8860937 0.72 HPGD (0.52) HPGDALDH1A1HSD11B1SMN1; SMN2TSHR
SCHEMBL2200249 0.72 HPGD (0.47) HPGDALDH1A1HSD11B1SMN1; SMN2TSHR
SCHEMBL3312314 0.71 ALDH1A1 (0.42) HPGDALDH1A1MEN1TP53KMT2A
SCHEMBL4372871 0.71 HPGD (0.56) HPGDALDH1A1HSD11B1SMN1; SMN2TSHR
SCHEMBL2439644 0.71
SCHEMBL2202337 0.70 ALDH1A1 (0.41) HPGDALDH1A1MEN1TP53KMT2A
SCHEMBL4681719 0.69 ALDH1A1 (0.33) HPGDALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed