SCHEMBL8936329

SCHEMBL8936329

CCC(=O)Cc1cc(O)cc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 2/20 0.55
▸ PTGS2 P35354 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA7 P43166 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA14 Q9ULX7 3/20 0.41
▸ IAPP P10997 1/20 0.40
▸ CA5A P35218 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LTA4H P09960 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL28721957 0.85 HSP90AB1 (0.58) HSP90AB1PTGS2CYP3A4ACHECA12
Phloroglucinol SCHEMBL28315251 0.83 TDP1 (0.59) HSP90AB1PTGS2CYP3A4MEN1PTGS1
SCHEMBL8936444 0.79 CTBP2 (0.53) CYP3A4DRD3KMT2ALMNA
SCHEMBL31618773 0.77 IDH1 (0.40) CYP3A4IAPPTDP1
SCHEMBL43309 0.77 CA2 (0.58) PTGS2CYP3A4MEN1PTGS1DRD3
SCHEMBL5703600 0.77 PTGS2 (0.56) HSP90AB1PTGS2CYP3A4MEN1KMT2A
SCHEMBL27662921 0.77 PTGS2 (0.56) HSP90AB1PTGS2CYP3A4MEN1KMT2A
SCHEMBL5703638 0.77 PTGS2 (0.56) HSP90AB1PTGS2CYP3A4MEN1KMT2A
SCHEMBL27682613 0.77 PTGS2 (0.56) HSP90AB1PTGS2CYP3A4MEN1KMT2A
SCHEMBL27682616 0.77 PTGS2 (0.56) HSP90AB1PTGS2CYP3A4MEN1KMT2A

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-5512059-A DYEING POLYUREHTANE ELASTIC FIBERS INCLUDING CHLORINE-INDUCED DEGRADATION INHIBITORS THAT DO NO ELUTE OUT TOYO BOSEKI KABUSHIKI KAISHA (JP) 1996-04-30 — — US disclosed
US-5456960-A A multicomponent yarn comprising a polyurethane elastic fiber containing one or more chlorination resistant inhibitors selected from the group consisting of oxides and hydroxides of magnesium, zinc, aluminum and hydrotalcite TOYO BOSEKI KABUSHIHI KAISHA (JP) 1995-10-10 — — US disclosed
EP-0489395-B1 Dyed mixed knit fabric and method for its manufacture TOYO BOSEKI (JP) 1995-09-27 — — EP disclosed
EP-0489395-A1 Dyed mixed knit fabric and method for its manufacture Toyo Boseki Kabushiki Kaisha (JP) 1992-06-10 — — EP disclosed
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