SCHEMBL11615593

SCHEMBL11615593

CCCC(=O)Oc1c(C)cccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KMT2A Q03164 5/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MYC P01106 1/20 0.42
ATM Q13315 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL14382477 0.87 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2058958 0.87 SMN1; SMN2 (0.59) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8487851 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL7176813 0.83 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29905006 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL28224179 0.81 SMN1; SMN2 (0.49) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL27459370 0.81 SMN1; SMN2 (0.49) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL24073765 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1315833 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29760302 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4127666-A ANTIEMETIC UNIVERSITE D'ORLEANS (FR) 1978-11-28 US disclosed