SCHEMBL7875720

SCHEMBL7875720

NC(Cc1ccc(O)cc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.77
LMNA P02545 1/20 0.77
MAPK1 P28482 1/20 0.77
SLC7A5 Q01650 1/20 0.47
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 1/20 0.47
KIF11 P52732 3/20 0.42
POLB P06746 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
EPHX1 P07099 1/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL7875715 1.00 KDM4E (0.77) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL1131200 0.89 KDM4E (0.96) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL1262139 0.89 KDM4E (0.96) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL294458 0.89 KDM4E (0.96) KDM4ELMNAMAPK1SLC7A5TAAR1
Acetic Acid SCHEMBL8841092 0.81 KDM4E (0.81) KDM4ELMNAMAPK1SLC7A5TAAR1
Acetic Acid SCHEMBL8841087 0.81 KDM4E (0.81) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL7420164 0.78 KDM4E (0.51) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL1153586 0.78 KDM4E (0.75) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL1153584 0.78 KDM4E (0.75) KDM4ELMNAMAPK1SLC7A5TAAR1
SCHEMBL7566427 0.77 TAAR1 (0.57) KDM4ELMNAMAPK1SLC7A5TAAR1

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
EP-0941212-B1 ENANTIOSELECTIVE CATALYTIC REDUCTION OF KETONES DEGUSSA (DE) 2001-03-21 EP disclosed
US-6180837-B1 Process for the catalytic enantioselective reduction of ketones DEGUSSA-HUELS AG (DE) 2001-01-30 US disclosed
EP-0941212-A1 ENANTIOSELECTIVE CATALYTIC REDUCTION OF KETONES Degussa-Hüls Aktiengesellschaft (DE) 1999-09-15 EP disclosed
WO-1998022415-A1 ENANTIOSELECTIVE CATALYTIC REDUCTION OF KETONES Degussa-Hüls Aktiengesellschaft (DE) 1998-05-28 WO disclosed