SCHEMBL9706763

SCHEMBL9706763

CC(C)OC(=O)C(C(=O)N1CCOCC1)=C1SC=CS1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.60
PDE4D Q08499 1/20 0.60
FKBP1A P62942 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MDM2 Q00987 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL9674429 0.87 ADRA1A (0.66) ADRA1APDE4DMEN1KMT2AALDH1A1
SCHEMBL9673062 0.85 ADRA1A (0.62) ADRA1APDE4DKMT2ASMN1; SMN2HPGD
SCHEMBL19500122 0.77 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
Malotilate SCHEMBL635496 0.77 ADRA1A (1.00) ADRA1APDE4DMEN1KMT2ASMN1; SMN2
SCHEMBL8055886 0.73 ADRA1A (0.82) ADRA1APDE4DMEN1KMT2ASMN1; SMN2
SCHEMBL9706734 0.71 ADRA1A (0.79) ADRA1APDE4DALDH1A1SMN1; SMN2TSHR
SCHEMBL9673280 0.71 ADRA1A (0.54) ADRA1APDE4DALDH1A1SMN1; SMN2HPGD
Malotilate SCHEMBL5489569 0.70 ADRA1A (0.75) ADRA1APDE4D
SCHEMBL9673259 0.69 ADRA1A (0.59) ADRA1APDE4DALDH1A1LMNA
SCHEMBL9706771 0.69 ADRA1A (0.74) ADRA1APDE4DSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed