SCHEMBL30102414

SCHEMBL30102414

CCc1cc(NCCOCC(C)(C)C)c(N)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B2 P37059 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
SCHEMBL30102413 0.82 HAT1 (0.36) PTGER4ALDH1A1MAPTL3MBTL1
SCHEMBL30102484 0.79 KDM4E (0.37) PTGER4ALDH1A1MAPT
SCHEMBL30102408 0.77 KCNQ2 (0.36) PTGER4ALDH1A1L3MBTL1
SCHEMBL30102415 0.77 ACHE (0.33) PTGER4
SCHEMBL30102431 0.74 DRD2 (0.44) PTGER4ALDH1A1MAPTL3MBTL1
SCHEMBL7470752 0.65 CD44 (0.48) ALDH1A1MAPTL3MBTL1
SCHEMBL30102382 0.65 HDAC8 (0.46) L3MBTL1
SCHEMBL30102420 0.65 PTGER4 (0.41) PTGER4ALDH1A1
SCHEMBL10948580 0.64 GAA (0.57) ALDH1A1
SCHEMBL10368992 0.63 GAA (0.50) ALDH1A1MAPTL3MBTL1

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-2022272313-A1 MODULATORS OF HISTONE ACETYLTRANSFERASE 1 AND METHODS OF TREATMENT THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO disclosed