SCHEMBL9521170

SCHEMBL9521170

CC(C)OC(=O)C(C(=O)Nc1ccccc1)=C1SCS1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 2/20 0.50
ADRA1A P35348 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.40
METAP2 P50579 1/20 0.40
BCL2 P10415 1/20 0.40
EPHX2 P34913 1/20 0.40
KLK7 P49862 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL9521395 0.88 ADRA1A (0.41) SMN1; SMN2GAAADRA1APDE4DALDH1A1
SCHEMBL9521689 0.87 POLB (0.45) SMN1; SMN2ADRA1APDE4DALDH1A1NPC1
SCHEMBL9672860 0.85 ADRA1A (0.62) SMN1; SMN2GAAADRA1APDE4DALDH1A1
SCHEMBL9521622 0.84 TRPV4 (0.43) SMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL8752193 0.81 NPC1 (0.49) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL8752214 0.81 KMT2A (0.48) SMN1; SMN2GAAADRA1APDE4DALDH1A1
SCHEMBL11464467 0.79 SMN1; SMN2 (0.70) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL9520912 0.78 MAPT (0.49) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL8805273 0.78 SMN1; SMN2 (0.68) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL9521064 0.77 ADRA1A (0.60) SMN1; SMN2GAAADRA1APDE4D

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-0366614-B1 PHARMACEUTICALLY ACTIVE DITHIOKETENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1993-09-01 EP disclosed
US-5103013-A For treating liver disorders YUHAN CORPORATION, LTD. (KR) 1992-04-07 US disclosed
EP-0366614-A2 Pharmaceutically active dithioketene derivatives YUHAN CORPORATION, LTD. (KR) 1990-05-02 EP disclosed