SCHEMBL9523192

SCHEMBL9523192

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.49
PDE4D Q08499 1/20 0.49
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 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
SCHEMBL9521064 0.89 ADRA1A (0.60) ADRA1APDE4DSMN1; SMN2TSHR
SCHEMBL9521372 0.84 ADRA1A (0.50) ADRA1APDE4DSMN1; SMN2TSHR
SCHEMBL9706734 0.79 ADRA1A (0.79) ADRA1APDE4DSMN1; SMN2TSHRALDH1A1
Isoprothiolane SCHEMBL71267 0.77 ADRA1A (0.60) ADRA1APDE4DLMNANPC1RAB9A
Isoprothiolane SCHEMBL8408577 0.77 ADRA1A (0.60) ADRA1APDE4DLMNANPC1RAB9A
SCHEMBL9523261 0.76 ADRA1A (0.42) ADRA1APDE4DSMN1; SMN2
Alcohol SCHEMBL10441619 0.76 ADRA1A (0.42) ADRA1APDE4D
Isoprothiolane SCHEMBL5613732 0.74 ADRA1A (0.56) ADRA1APDE4DLMNANPC1RAB9A
SCHEMBL11678429 0.74 ADRA1A (0.56) ADRA1APDE4DSMN1; SMN2TSHRHSD17B10
SCHEMBL11676374 0.74 ADRA1A (0.56) ADRA1APDE4DLMNASMN1; SMN2TSHR

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