SCHEMBL11843289

SCHEMBL11843289

CSc1ccccc1-c1ccc(C(Cl)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 1/20 0.40
▸ GRIA4 P48058 1/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ PTGS1 P23219 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C2 P52895 2/20 0.39
▸ FABP2 P12104 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL11842570 0.85 CA12 (0.44) PTGS2KMT2AMEN1MAPTHPGD
SCHEMBL11849937 0.83 LMNA (0.52) GRIA2GRIA4PTGS2KMT2AMEN1
SCHEMBL11844401 0.82 GRIA2 (0.39) GRIA2GRIA4KMT2AMEN1MAPT
SCHEMBL11846562 0.80 PPARG (0.49) PTGS2KMT2AMEN1MAPTHPGD
SCHEMBL11837769 0.78 PTGS2 (0.41) GRIA2GRIA4PTGS2KMT2AMEN1
SCHEMBL11844907 0.78 HPGD (0.53) PTGS2KMT2AMEN1MAPTHPGD
SCHEMBL11788735 0.78 CYP2A6 (0.53) PTGS2KMT2AMEN1MAPTHPGD
SCHEMBL11838674 0.78 PTGS2 (0.41) PTGS2KMT2AMEN1MAPTHPGD
SCHEMBL11793687 0.76 ALDH1A1 (0.52) PTGS2KMT2AMEN1MAPTHPGD
SCHEMBL11841900 0.76 PTGS2 (0.40) PTGS2KMT2AMEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
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