SCHEMBL21917535

SCHEMBL21917535

CNCC(O)COCC(C)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 1/20 0.41
KISS1R Q969F8 2/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL10001671 0.81 KDM4E (0.48) KDM4EHSD17B10ALOX15CA12CA1
SCHEMBL24840347 0.80 KDM4E (0.48) KDM4EHSD17B10ALOX15KISS1RCA12
SCHEMBL23560611 0.80 HSD17B10 (0.62) KDM4EHSD17B10CA1CA2TDP1
SCHEMBL13882631 0.79
SCHEMBL5524685 0.77
SCHEMBL5528595 0.77
SCHEMBL10073780 0.77
SCHEMBL35798 0.77
SCHEMBL22509563 0.74 ALOX15 (0.42) KDM4EALOX15KISS1RCA12CA1
SCHEMBL20028402 0.74 ALOX15 (0.42) KDM4EALOX15KISS1RCA12CA1

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
EP-3016729-B1 AFFINITY CHROMATOGRAPHY MATRIX LABORATOIRE FRANCAIS DU FRACTIONNEMENT ET DES BIOTECHNOLOGIES SA (FR) 2020-03-25 EP disclosed