SCHEMBL23680880

SCHEMBL23680880

CCOc1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LPL P06858 5/20 0.40
LIPG Q9Y5X9 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
GAA P10253 1/20 0.35
HCRTR1 O43613 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 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
SCHEMBL26336096 0.87 LPL (0.39) ALDH1A1LPLLIPGCYP1A2CYP2C19
SCHEMBL18174184 0.86 LPL (0.40) ALDH1A1LPLLIPGL3MBTL1MAPT
SCHEMBL13043663 0.86 LPL (0.40) LPLLIPGL3MBTL1MAPTTDP1
SCHEMBL30594507 0.85 MAPT (0.38) ALDH1A1LPLLIPGL3MBTL1MAPT
SCHEMBL26111453 0.85 MAPT (0.38) ALDH1A1LPLLIPGL3MBTL1MAPT
SCHEMBL26111348 0.84 ALDH1A1 (0.39) ALDH1A1LPLLIPGL3MBTL1MAPT
SCHEMBL15551341 0.84 LPL (0.38) ALDH1A1LPLLIPGL3MBTL1MAPT
SCHEMBL29605546 0.83 LPL (0.38) LPLLIPG
SCHEMBL4259193 0.83 LPL (0.38) LPLLIPG
SCHEMBL29534512 0.82 LPL (0.37) ALDH1A1LPLLIPGL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed
WO-2021151014-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING MYOFORTE THERAPEUTICS, INC. (US) 2021-07-29 WO disclosed