SCHEMBL7975649

SCHEMBL7975649

O=C(O)C(=O)c1ccccc1COC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CREBBP Q92793 2/20 0.41
EP300 Q09472 1/20 0.41
KDM4C Q9H3R0 1/20 0.39
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
SLC6A3 Q01959 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MGLL Q99685 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
SCHEMBL4322060 0.91 MEN1 (0.50) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL7452571 0.86 ICAM1 (0.44) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL7972936 0.85 CREBBP (0.41) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL7959257 0.84 KDM4E (0.40) MEN1KMT2ACREBBPEP300SLC6A3
SCHEMBL28569206 0.80 KMT2A (0.51) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL27435640 0.80 CREBBP (0.41) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL4325200 0.79 KMT2A (0.52) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL17909890 0.79 KDM4C (0.38) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL5107704 0.78 KDM4C (0.43) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL13787407 0.78 KDM4C (0.43) MEN1KMT2ACREBBPEP300KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313150-B1 FOR CONTROLLING PHYTOPATHOGENIC FUNGI SHIONOGI & CO., LTD. (JP) 2001-11-06 US disclosed
EP-0754672-B1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO (JP) 2000-10-11 EP disclosed
EP-0754672-A1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-01-22 EP disclosed