SCHEMBL25526544

SCHEMBL25526544

CCOC(=O)CC1c2cc(Br)c(F)cc2OCC12CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 4/20 0.33
SIGMAR1 Q99720 3/20 0.33
HTR1A P08908 2/20 0.33
HTR2B P41595 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
AKR1B1 P15121 1/20 0.32
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BACE1 P56817 1/20 0.31
MIF P14174 1/20 0.31
ABCC9 O60706 1/20 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
SCHEMBL25859595 0.76 TSHR (0.34) L3MBTL1TSHRSIGMAR1HTR1AHTR2B
SCHEMBL25528305 0.74 AKR1B1 (0.36) AKR1B1
SCHEMBL25526257 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22992472 0.68 OPRM1 (0.38) L3MBTL1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL10258534 0.66 SCN9A (0.38) KDM4EL3MBTL1TSHRSIGMAR1ALDH1A1
SCHEMBL22992564 0.65 CYP1A2 (0.44) TSHRSIGMAR1ALDH1A1GAAMEN1
SCHEMBL25860608 0.65 AKR1B1 (0.42) AKR1B1
SCHEMBL25528315 0.65 HTR1A (0.33) SIGMAR1HTR1AHTR2BSLC6A2HTR2C
SCHEMBL25859479 0.65 MIF (0.36) L3MBTL1ALDH1A1USP2MEN1KMT2A
SCHEMBL25526501 0.62 FFAR4 (0.32) ALDH1A1GAA

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
EP-4183783-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-24 EP disclosed