SCHEMBL8926729

SCHEMBL8926729

CCOP(=O)(CS(=O)(=O)N1CCCC1)OCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
PPARD Q03181 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL7884617 0.84 MEN1 (0.41) TSHRGAAHPGDKMT2AALDH1A1
SCHEMBL2155087 0.74 ALDH1A1 (0.48) NPSR1KMT2AALDH1A1MEN1CYP3A4
SCHEMBL12395361 0.73 LMNA (0.54) TSHRGAAKMT2AALDH1A1MAPK1
SCHEMBL2738754 0.72 CA1 (0.48) TSHRGAANPSR1HPGDKMT2A
SCHEMBL1439330 0.70 CA1 (0.52) TSHRGAANPSR1HPGDKMT2A
SCHEMBL13058300 0.70 CA1 (0.52) TSHRGAANPSR1HPGDKMT2A
SCHEMBL1521742 0.70 CA1 (0.52) TSHRGAANPSR1HPGDKMT2A
SCHEMBL9961218 0.69 TSHR (0.52) TSHRPPARDGAATDP1KMT2A
SCHEMBL159202 0.69 TSHR (0.52) TSHRPPARDGAATDP1KMT2A
SCHEMBL1305572 0.68 TSHR (0.46) TSHRPPARDGAATDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599810-A ADMINISTERING IN TREATMENT OF BENIGN PROSTATIC HYPERTROPHY, PERIPHERAL VASCULAR DISEASE AND CONGESTIVE HEART FAILURE SMITHKLINE BEECHAM CORPORATION (US) 1997-02-04 US disclosed
EP-0684949-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-06 EP disclosed
EP-0684949-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-10-13 EP disclosed
WO-1994019354-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-09-01 WO disclosed