SCHEMBL27265693

SCHEMBL27265693

Cc1cccc2c1OCCN2C1CCC2(CC1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PARP1 P09874 1/20 0.37
NOTUM Q6P988 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
HTR2A P28223 1/20 0.33
MAPK8 P45983 5/20 0.32
MAPK10 P53779 5/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAP3K14 Q99558 1/20 0.32
C5AR1 P21730 2/20 0.31
GRIN1 Q05586 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
SCHEMBL30962073 0.87 PIK3CD (0.38) PIK3CDPARP1NOTUMMAPK8MAPK10
SCHEMBL30962064 0.86 NOTUM (0.48) PARP1NOTUMMEN1ALDH1A1LMNA
SCHEMBL27265692 0.81 PARP1 (0.35) PARP1NOTUMKDM4EALDH1A1HTR2C
SCHEMBL27266069 0.79 PIK3CD (0.42) PIK3CDNOTUMMEN1KMT2AHTR2C
SCHEMBL30962052 0.79 NOTUM (0.42) PIK3CDPARP1NOTUMKDM4EALDH1A1
SCHEMBL27265633 0.77 NPC1 (0.34) PARP1ALDH1A1
SCHEMBL2676013 0.71 OPRM1 (0.48) PARP1MEN1ALDH1A1LMNAHPGD
SCHEMBL2015572 0.71 DRD2 (0.41) PIK3CDKDM4EMEN1ALDH1A1LMNA
SCHEMBL31134547 0.71 PARP1 (0.38) PARP1ALDH1A1HTR2CHTR2BHTR2A
SCHEMBL30962102 0.70 NOTUM (0.42) PARP1NOTUMKDM4EALDH1A1MAPT

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-2024130342-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS UNIQUEST PTY LIMITED (AU) 2024-06-27 WO disclosed