SCHEMBL23933260

SCHEMBL23933260

CCCOC12CC3CC(C1)C(OC(=O)Oc1ccc([N+](=O)[O-])cc1)C(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
MGLL Q99685 3/20 0.41
HTR2A P28223 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.36
EPHX2 P34913 1/20 0.36
FAAH O00519 1/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL23933252 0.79 ALDH1A1 (0.40) MAPTEPHX2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2597400 0.74 BCL9 (0.63) BCL9CTNNB1MGLLHTR2AGAA
SCHEMBL24727719 0.73 ALDH1A1 (0.48) BCL9CTNNB1MGLLHTR2AGAA
Hydrochloric Acid SCHEMBL30544551 0.73 BCL9 (0.61) BCL9CTNNB1MGLLHTR2AGAA
SCHEMBL23933254 0.73 ALDH1A1 (0.36) MAPTEPHX2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15257803 0.73 GAA (0.51) BCL9CTNNB1MGLLHTR2AGAA
SCHEMBL18910059 0.71 BCL9 (0.44) BCL9CTNNB1MGLLHTR2AGAA
SCHEMBL21097283 0.71 GAA (0.50) BCL9CTNNB1MGLLHTR2AGAA
SCHEMBL1144551 0.70 MGLL (0.62) BCL9CTNNB1MGLLHTR2AGAA
SCHEMBL30232973 0.70 BCL9 (0.57) BCL9CTNNB1MGLLHTR2AGAA

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-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed