SCHEMBL502508

SCHEMBL502508

C#CCC.O=C(O)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ GRIN2D O15399 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ RARB P10826 4/20 0.44
▸ RARG P13631 4/20 0.44
▸ RARA P10276 3/20 0.44
▸ CYP26A1 O43174 1/20 0.44
▸ CYP26B1 Q9NR63 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
Terephthalic Acid SCHEMBL3806690 0.86 ALDH1A1 (0.58) MEN1KMT2ARARBALDH1A1TP53
Alcohol SCHEMBL28996062 0.84 KDM4E (0.62) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Methyl Alcohol SCHEMBL7181550 0.81 KDM4E (0.69) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL29359975 0.81 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL29594563 0.81 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL18758 0.81 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL6916181 0.81 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Acetic Acid SCHEMBL6050911 0.79 KDM4E (0.67) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL6666460 0.79 KDM4E (0.65) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL20942846 0.79 KDM4E (0.65) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C

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-8106132-B2 Polyester resin composition MITSUI CHEMICALS, INC. (JP) 2012-01-31 — — US disclosed
EP-1582564-B1 POLYESTER RESIN COMPOSITION MITSUI CHEMICALS INC (JP) 2010-05-05 — — EP disclosed
US-20060217523-A1 Polyester resin composition MITSUI CHEMICAL, INC. (JP) 2006-09-28 — — US disclosed
EP-1582564-A1 POLYESTER RESIN COMPOSITION Mitsui Chemicals, Inc. (JP) 2005-10-05 — — EP disclosed
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