SCHEMBL8698153

SCHEMBL8698153

O=C(n1ccccc1=O)n1ccccc1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
PSMB1 P20618 1/20 0.35
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
NOTUM Q6P988 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PSMB5 P28074 1/20 0.33
MAPT P10636 1/20 0.33
IDH1 O75874 2/20 0.32
HSD17B10 Q99714 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 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
SCHEMBL620180 0.85 TSHR (0.37) TSHRPSMB1POLBNPSR1PREP
SCHEMBL2703082 0.83 MAPT (0.38) TSHRPSMB1NPSR1MAPTIDH1
SCHEMBL1505859 0.81 BCHE (0.39) TSHRPSMB1POLBNPSR1MAPT
SCHEMBL8677952 0.81 NOTUM (0.48) TSHRPOLBNOTUMHSD17B10
SCHEMBL27500883 0.81 POLB (0.36) TSHRPSMB1POLBNPSR1NOTUM
SCHEMBL10877381 0.81 CES1 (0.42) TSHRPOLBNPSR1RAB9A
SCHEMBL19817425 0.80 BCHE (0.49) POLBNPSR1MAPTHSD17B10BCHE
SCHEMBL23732646 0.79 PSMB1 (0.36) TSHRPSMB1POLBNPSR1PREP
SCHEMBL558876 0.78 ESR1 (0.34) TSHRPSMB1POLBNPSR1ADORA3
SCHEMBL31465185 0.78 SIGMAR1 (0.49) TSHRPOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1235992-A Water-soluble fiber-reactive dyes, processes for their preparation and their use HOECHST AG (DE) 1999-11-24 CN disclosed
US-5731320-A TREATING PATIENT IN NEED OF IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY OR ANTIPROLIFERATIVE THERAPY ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
US-5708002-A ASCOMYCIN ANALOGS, IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1998-01-13 US disclosed
US-5643918-A MACROCYCLIC COMPOUNDS TO REVERSE DRUG RESISTANCE, VIRICIDES, ANTIINFLAMMATORY AGENTS AND FUNGICIDES ABBOTT LABORATORIES (US) 1997-07-01 US disclosed
US-5563172-A MICROBIOCIDES, FUNGICIDES, VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS ABBOTT LABORATORIES (US) 1996-10-08 US disclosed
US-5561228-A IMMUNOSUPPRESSNATS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-10-01 US disclosed
US-5457111-A Side effect reduction ABBOTT LABORATORIES (US) 1995-10-10 US disclosed
CN-1108277-A Water-soluble fibre-reactive dyes, their preparation and their use HOECHST AG (DE) 1995-09-13 CN disclosed
CN-1103417-A Water soluble azo dyes which is reactable with fibre, preparation and application of same HOECHST AG (DE) 1995-06-07 CN disclosed
EP-0642516-A1 MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-03-15 EP disclosed
EP-0638082-A1 MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-02-15 EP disclosed
WO-1994021642-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed
EP-0642516-A4 MACROCYCLIC IMMUNOMODULATORS. ABBOTT LAB (US) 1994-06-15 EP disclosed
EP-0638082-A4 MACROCYCLIC IMMUNOMODULATORS. ABBOTT LAB (US) 1994-06-09 EP disclosed
WO-1993004680-A1 MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1993-03-18 WO disclosed
WO-1993004679-A1 MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1993-03-18 WO disclosed