SCHEMBL31662277

SCHEMBL31662277

COC(=O)c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)n2cncc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
RAB9A P51151 1/20 0.35
P2RX3 P56373 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
GLA P06280 1/20 0.33
HPGDS O60760 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL31662398 0.89 BMPR1B (0.34) ALDH1A1KDM4EHTTHPGDS
SCHEMBL31662082 0.89 TBXAS1 (0.34) P2RX3ALDH1A1KDM4E
SCHEMBL31661914 0.84 CPT1A (0.34)
SCHEMBL31662141 0.84 CPT1A (0.34)
SCHEMBL31661907 0.84 CPT1A (0.34)
SCHEMBL31662594 0.82 MAPT (0.45) MAPTRAB9AALDH1A1KDM4ETSHR
SCHEMBL31662132 0.80 CPT2 (0.32) MAPTRAB9A
SCHEMBL31662491 0.80 HRH3 (0.42) MRGPRX4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL31662538 0.79 OPRK1 (0.33) MAPTMRGPRX4P2RX3
SCHEMBL31662366 0.77 CA1 (0.42) MAPTRAB9ANPSR1ALDH1A1KDM4E

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed