SCHEMBL9308294

SCHEMBL9308294

CC(=O)OCCCCCC(OC(C)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
PTGS2 P35354 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.39
ALOX5 P09917 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL4448852 0.92 MMP12 (0.43) PABPC1APOBEC3AAPOBEC3GPTGS2
SCHEMBL9389062 0.88 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL27477569 0.85 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3GNPC1RAB9A
SCHEMBL9340624 0.85 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3GNPC1RAB9A
SCHEMBL9309152 0.84 TBXAS1 (0.49) PABPC1APOBEC3AAPOBEC3GPTGS2ALDH1A1
SCHEMBL6666615 0.81 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL10944021 0.81 PTGS2 (0.44) PTGS2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1839792 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1835818 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1836560 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304658-A Quinone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-19 US disclosed
US-5180742-A Lipoxygenase Inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US disclosed
EP-0171251-B2 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-12-23 EP disclosed
CN-1012495-B Preparation method and application of benzoquinone derivative TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-05-01 CN disclosed
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed
CN-85105976-A The preparation method of quinone derivatives and purposes 1986-10-22 CN disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP disclosed