Sugi Predict

Sugi Predict / Compounds / SCHEMBL7094930

SCHEMBL7094930

SCHEMBL7094930

CC(=O)CC(=O)C(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ SLC1A3 P43003 2/20 0.46
▸ SLC1A2 P43004 2/20 0.46
▸ SLC1A1 P43005 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PSMB5 P28074 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41

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
SCHEMBL394192 0.85 ALDH1A1 (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL3643943 0.82 ALDH1A1 (0.57) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL8553178 0.77 SLC1A1 (0.59) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL5751604 0.75 KMT2A (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL8549949 0.74 ALDH1A1 (0.57) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7720206 0.74 SLC1A3 (0.47) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL21536617 0.74 ALDH1A1 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL2312535 0.74 ALDH1A1 (0.52) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL9221950 0.73 MMP1 (0.47) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL11806967 0.73 KMT2A (0.53) ALDH1A1SLC1A3SLC1A2SLC1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 — — EP claimed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 — — WO claimed
EP-1268496-A1 WATER SOLUBLE CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2003-01-02 — — EP disclosed
WO-2002040493-A1 ASYMMETRIC METAL COMPLEXES BASED ON A TRANSITION METAL USEFUL FOR ENANTIOSELECTIVE REDUCTION OF KETONE DERIVATIVES BY HYDRIDE TRANSFER RHODIA CHIMIE (FR) 2002-05-23 — — WO disclosed
EP-1161481-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2001-12-12 — — EP disclosed
EP-1153031-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2001-11-14 — — EP disclosed
WO-2001074828-A1 WATER SOLUBLE CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2001-10-11 — — WO disclosed
WO-2000052081-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2000-09-08 — — WO disclosed
WO-2000049028-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2000-08-24 — — WO disclosed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 — — EP disclosed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 — — WO disclosed