SCHEMBL9309152

SCHEMBL9309152

CC(=O)OC(CCCCCCC(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.49
TBXA2R P21731 2/20 0.47
PABPC1 P11940 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PTGS2 P35354 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL11643170 0.87 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL9340624 0.86 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL23664923 0.86 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL27477569 0.86 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL9308294 0.84 PABPC1 (0.46) PABPC1APOBEC3AAPOBEC3GPTGS2ALDH1A1
SCHEMBL6913601 0.84 HDAC3 (0.50) TBXAS1TBXA2RHDAC3HDAC4HDAC1
SCHEMBL6913607 0.84 HDAC3 (0.50) TBXAS1TBXA2RHDAC3HDAC4HDAC1
SCHEMBL9419401 0.83 FFAR4 (0.49) HDAC11ALDH1A1FFAR4
SCHEMBL6666615 0.83 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL4392102 0.81 CYSLTR2 (0.44) TBXAS1HDAC11ALDH1A1FFAR4

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-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
EP-0171251-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-06-27 EP disclosed
EP-0171251-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-02-12 EP disclosed