SCHEMBL30849280

SCHEMBL30849280

CCCCOC(=O)NCC12CCC(c3nc(-c4ccc(OC)nn4)no3)(CC1)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.34
P2RX7 Q99572 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CASP1 P29466 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
STAT1 P42224 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SLC6A5 Q9Y345 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 1/20 0.32
HPGD P15428 2/20 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
SCHEMBL29318336 0.85 SMO (0.37) NR1H4P2RX7HSD11B1
SCHEMBL30892954 0.85 SMO (0.37) NR1H4P2RX7HSD11B1
SCHEMBL30892906 0.79 P2RX7 (0.39) NR1H4P2RX7HSD11B1
SCHEMBL30849241 0.77 NR1H4 (0.36) NR1H4NFKB1GAA
SCHEMBL30849221 0.76 P2RX7 (0.39) NR1H4P2RX7HSD11B1
SCHEMBL30849233 0.74 SLC6A5 (0.35) NR1H4P2RX7NPC1RAB9ASLC6A5
Trifluoroacetic Acid SCHEMBL30892911 0.74 HSD11B1 (0.38) NR1H4HSD11B1
SCHEMBL30849257 0.71 TSHR (0.40) NR1H4NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL30892941 0.69 NR1H4 (0.41) NR1H4P2RX7HSD11B1
SCHEMBL30892897 0.66 NR1H4 (0.35) NR1H4HSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598908-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS Pfizer Inc. (US) 2025-08-13 EP disclosed
WO-2024075051-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2024-04-11 WO disclosed