SCHEMBL7646016

SCHEMBL7646016

C[C@@H]1OC(=O)[C@H](c2ccccc2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CA2 P00918 1/20 0.44
RAB9A P51151 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAOA P21397 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
ADK P55263 1/20 0.35
F10 P00742 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
SCHEMBL979938 1.00 ALDH1A1 (0.44) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL7641536 1.00 ALDH1A1 (0.44) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL983728 0.87 ALDH1A1 (0.54) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL31650964 0.85 ALDH1A1 (0.56) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL28452557 0.83 ALDH1A1 (0.54) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL28541786 0.76 TNKS (0.43) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL28541756 0.76 ALDH1A1 (0.49) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL28542569 0.76 KMT2A (0.47) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL28536177 0.73 CA2 (0.42) ALDH1A1CA2RAB9ASLC6A3KDM4E
SCHEMBL14410146 0.73 TSHR (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469133-B2 SUCH AS CRYSTALLINE POLYLACTIDE AND POLYMANDELIDE, FROM SUBSTITUTED 1,4-DIOXAN-2,5-DIONES BY MIXING AN ANHYDROUS METAL ORGANIC LIGAND WITH THE DIOXANEDIONE AND HEATING; HIGH MELTING BIODEGRADABLE POLYMERS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2002-10-22 US disclosed
US-20010044514-A1 Process for the preparation of polymers of dimeric cyclic esters BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2001-11-22 US disclosed