SCHEMBL17504255

SCHEMBL17504255

CC1(C)COC(=O)c2ccc(c(O)c2O)C(=O)OC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.36
ELANE P08246 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAOA P21397 2/20 0.33
HPGD P15428 2/20 0.33
MAOB P27338 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP3A4 P08684 1/20 0.33
BCL2 P10415 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
DAPK1 P53355 1/20 0.33

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
SCHEMBL11577792 0.83 MAOA (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL31018377 0.78 PSMB5 (0.41) PSMB5ALDH1A1KDM4EMAPTMEN1
SCHEMBL1366417 0.78 PSMB5 (0.41) PSMB5ALDH1A1KDM4EMAPTMEN1
SCHEMBL17603299 0.77 TP53 (0.32) KDM4EMAPTMEN1KMT2ACYP1A2
SCHEMBL249354 0.76 NPC1 (0.36) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL18860161 0.74 PSMB5 (0.38) PSMB5ALDH1A1KDM4EMAPTMEN1
SCHEMBL1401927 0.74 PSMB5 (0.38) PSMB5ALDH1A1KDM4EMAPTMEN1
SCHEMBL1401912 0.72 MAOA (0.39) PSMB5ALDH1A1MAPTKMT2AMAOA
SCHEMBL10484520 0.71 PGR (0.36) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4438511 0.69 KCNJ1 (0.39) PSMB5ELANEALDH1A1KDM4EMAPT

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-10252377-B2 Aqueous aluminum brazing composition HARIMA CHEMICALS, INCORPORATED (JP) 2019-04-09 US disclosed
EP-2985112-B1 AQUEOUS COMPOSITION FOR ALUMINUM BRAZING HARIMA CHEMICALS INC (JP) 2018-08-22 EP disclosed
US-20160052092-A1 AQUEOUS ALUMINUM BRAZING COMPOSITION HARIMA CHEMICALS, INCORPORATED (JP) 2016-02-25 US disclosed
EP-2985112-A1 AQUEOUS COMPOSITION FOR ALUMINUM BRAZING Harima Chemicals, Inc. (JP) 2016-02-17 EP disclosed