SCHEMBL30344909

SCHEMBL30344909

CCC(C)NC(=O)OOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
BCHE P06276 3/20 0.45
EPHX2 P34913 2/20 0.44
CYP1A2 P05177 1/20 0.43
ACHE P22303 2/20 0.42

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
SCHEMBL11060563 0.83 CYP1A2 (0.58) ALDH1A1RAB9AGAAMEN1KMT2A
SCHEMBL27572461 0.76 RAB9A (0.45) RAB9AKDM4EGAAL3MBTL1MEN1
SCHEMBL869828 0.75 FFAR1 (0.43) L3MBTL1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL13572927 0.74 ATM (0.59) RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14999596 0.74 ATM (0.59) RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6407665 0.74 ATM (0.59) RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6693558 0.73 MAPT (0.44) L3MBTL1MTNR1AMTNR1B
SCHEMBL3640380 0.73 TDP1 (0.41) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL19591984 0.71 POLB (0.76) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL24116761 0.71 POLB (0.60) ALDH1A1RAB9AGAAMEN1KMT2A

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-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed