SCHEMBL23933252

SCHEMBL23933252

CCCO[C@]12C[C@@H]3C[C@H](C1)[C@H](OC(=O)O[C@H]1[C@@H]4C[C@@H]5C[C@H]1C[C@@](OCCC)(C5)C4)[C@@H](C3)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 8/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 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
SCHEMBL23933254 0.89 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL23933260 0.79 BCL9 (0.44) ALDH1A1MEN1KMT2ANPSR1EPHX2
SCHEMBL23992082 0.79 MEN1 (0.34) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL23933257 0.78 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL23933255 0.78 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL23933241 0.78 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHTTNPSR1
Hydrochloric Acid SCHEMBL23933225 0.78 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL23933263 0.77 HSD11B1 (0.38) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL482480 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL25455474 0.74 NAAA (0.34) ALDH1A1KMT2ANPSR1EPHX2HSD11B1

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