SCHEMBL9814786

SCHEMBL9814786

O=C1CSCC(=O)C1C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
SRD5A2 P31213 1/20 0.40
SLC6A3 Q01959 1/20 0.39
P2RX7 Q99572 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL10815118 0.87 SMN1; SMN2 (0.53) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL7344969 0.84 TSHR (0.50) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL10629918 0.80 SMN1; SMN2 (0.41) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL9874230 0.79 P2RX7 (0.49) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL9430443 0.76 SMN1; SMN2 (0.45) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL9711583 0.75 SMN1; SMN2 (0.44) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL7350816 0.74 SLC6A3 (0.44) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL6141378 0.73 TSHR (0.57) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL9651912 0.73 SMN1; SMN2 (0.45) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL9807692 0.72 MAPT (0.41) SMN1; SMN2TSHRCASP1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255584-B1 CERTAIN SUBSTITUTED 4-BEZOYL-3,5-DIOXOTETRAHYDROPYRANS AND THIOPYRANS STAUFFER CHEMICAL COMPANY (US) 1991-09-25 EP disclosed
US-4786309-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1988-11-22 US disclosed
US-4777272-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1988-10-11 US disclosed
US-4728745-A PRE- AND POSTEMERGENCE STAUFFER CHEMICAL COMPANY (US) 1988-03-01 US disclosed
US-4695673-A Process for the production of acylated 1,3-dicarbonyl compounds STAUFFER CHEMICAL COMPANY (US) 1987-09-22 US disclosed