SCHEMBL4735883

SCHEMBL4735883

CCCCC(N)(NC=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.37
ALOX15 P16050 1/20 0.34
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH7 P40394 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
ADH4 P08319 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
SMPD1 P17405 2/20 0.32
PKM P14618 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL27790250 0.76 MEN1 (0.40) FDPSALOX15MEN1ALDH1A1CYP1A2
SCHEMBL7374813 0.76 ADH1B (0.34) FDPSALOX15ADH1BADH1CADH1A
SCHEMBL8709507 0.73 FDPS (0.36) FDPSALOX15MEN1ALDH1A1CYP1A2
Acetone SCHEMBL9126641 0.72
Hydrochloric Acid SCHEMBL28434665 0.71 FDPS (0.35) FDPSALOX15MEN1ALDH1A1CYP1A2
SCHEMBL9282120 0.71 ADH1B (0.41) FDPSADH1BADH1CADH1AADH7
Bicarbonate SCHEMBL4357070 0.71 FDPS (0.48) FDPSALOX15MEN1ALDH1A1CYP1A2
Pivalate SCHEMBL4924833 0.70 FDPS (0.43) FDPSALOX15MEN1ALDH1A1CYP1A2
Acetic Acid SCHEMBL2529015 0.69 FDPS (0.46) FDPSALOX15MEN1ALDH1A1CYP1A2
Formic Acid SCHEMBL2534530 0.69 FDPS (0.46) FDPSALDH1A1SMPD1AKR1B1

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
WO-2008066943-A2 LIGHT-WAND AND BALLOON CATHETERS LUMERX, INC. (US) 2008-06-05 WO disclosed