SCHEMBL8470767

SCHEMBL8470767

O=C(O)C(S)Cc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.51
CTBP2 P56545 1/20 0.49
PPARA Q07869 4/20 0.46
PPARG P37231 3/20 0.46
CNR1 P21554 1/20 0.46
MME P08473 2/20 0.45
MDM2 Q00987 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL3470119 0.84 PNMT (0.56) PNMTCTBP2PPARAPPARGMDM2
SCHEMBL3347144 0.82 KDM6B (0.56) PNMTCTBP2MMEMEN1ALDH1A1
SCHEMBL8592637 0.82 KDM6B (0.56) PNMTCTBP2MMEMEN1ALDH1A1
SCHEMBL7626979 0.81 PNMT (0.53) PNMTCTBP2PPARAPPARGMEN1
SCHEMBL1635772 0.81 MME (0.46) MME
SCHEMBL9659004 0.80 PPARG (0.56) PPARAPPARGMME
SCHEMBL42994 0.79 SLC7A5 (0.65) PNMT
SCHEMBL298829 0.79 SLC7A5 (0.65) PNMT
SCHEMBL21149890 0.79 CTBP2 (0.47) CTBP2PPARAPPARGCNR1MME
SCHEMBL31324842 0.79 PNMT (0.61) PNMTCTBP2PPARAPPARGMME

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
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
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