SCHEMBL30845989

SCHEMBL30845989

CCCCC(=O)N1CCC(C)CC1(N=S(=O)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.37
GNAI3 P08754 3/20 0.32
GNAO1 P09471 3/20 0.32
GNAI1 P63096 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL9062091 0.65 NPC1 (0.81) MEN1KMT2APOLBMAPTNPC1
SCHEMBL9052232 0.63 GNAI3 (0.35) MEN1KMT2APOLBMAPTGNAI3
SCHEMBL3663914 0.63 MEN1 (0.81) MEN1KMT2APOLBMAPTNPC1
SCHEMBL25934640 0.61 NPC1 (0.79) MEN1KMT2APOLBMAPTNPC1
SCHEMBL852318 0.60 GNAI3 (0.46) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL28369766 0.60 GNAI3 (0.43) MEN1KMT2AGNAI3GNAO1GNAI1
SCHEMBL14879738 0.60 NPC1 (0.76) MEN1KMT2APOLBMAPTNPC1
SCHEMBL3365303 0.60 NPC1 (0.76) MEN1KMT2APOLBMAPTNPC1
SCHEMBL9280678 0.60 GNAI3 (0.57) MEN1KMT2APOLBMAPTNPC1
SCHEMBL29191720 0.58 MEN1 (0.50) MEN1KMT2APOLBMAPTNPC1

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-2024044568-A1 ANTIMICROBIAL POLYCARBONATE COATINGS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-29 WO disclosed