SCHEMBL14508451

SCHEMBL14508451

CC(C)NC(=O)NCC(O)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.39
ABCB1 P08183 1/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
CYP2D6 P10635 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
EPHX2 P34913 1/20 0.32
PCNA P12004 1/20 0.32
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL2625573 0.83 EPHX1 (0.48) EPHX1ALDH1A1MAPTABCB1LMNA
SCHEMBL25262351 0.82 LMNA (0.42) EPHX1ALDH1A1MAPTLMNAMEN1
SCHEMBL16556409 0.80 EPHX1 (0.48) EPHX1ALDH1A1MAPTABCB1LMNA
SCHEMBL12448166 0.80 EPHX1 (0.48) EPHX1ALDH1A1MAPTABCB1LMNA
SCHEMBL12448169 0.80 EPHX1 (0.48) EPHX1ALDH1A1MAPTABCB1LMNA
SCHEMBL19091394 0.80 CYP2C19 (0.33) EPHX1ALDH1A1MAPTLMNACYP2C19
SCHEMBL15592822 0.80 MAPT (0.41) EPHX1ALDH1A1MAPTABCB1LMNA
SCHEMBL17190633 0.79 KDM4E (0.48) EPHX1ALDH1A1MAPTABCB1LMNA
SCHEMBL12975369 0.78 LMNA (0.36) ALDH1A1LMNACYP2C19HIF1AEGFR
SCHEMBL777387 0.78 MAPT (0.59) EPHX1ALDH1A1MAPTLMNAMEN1

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-20070108405-A1 Compositions and methods for delivery of biologically active agents FH FAULDING & CO., LTD. (AU) 2007-05-17 US disclosed