SCHEMBL8470547

SCHEMBL8470547

O=C(O)CCSc1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
AKR1B1 P15121 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PTPRC P08575 1/20 0.41
PTPRG P23470 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HTR7 P34969 2/20 0.40
FGB P02675 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL13125 0.86 ALDH1A1 (0.49) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29846351 0.86 ALDH1A1 (0.49) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL11495454 0.83 CYP1A2 (0.42) TSHRAKR1B1ALDH1A1KMT2AMEN1
SCHEMBL23977091 0.83 KDM4E (0.41) AKR1B1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6243529 0.82 CYP1A2 (0.53) TSHRAKR1B1ALDH1A1PTPRCPTPRG
SCHEMBL4267829 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL8298790 0.75 ALDH1A1 (0.42) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4273503 0.75 PTGS2 (0.57) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL28408913 0.73 ALDH1A1 (0.47) TSHRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4269742 0.73 PTGS2 (0.59) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
WO-1997001550-A1 HERBICIDAL KETALS AND SPIROCYCLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-16 WO disclosed
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed