SCHEMBL27304154

SCHEMBL27304154

CCC1OCCC(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CTSC P53634 1/20 0.39
▸ CTSF Q9UBX1 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ PSEN1 P49768 3/20 0.37
▸ PSEN2 P49810 3/20 0.37
▸ APH1B Q8WW43 3/20 0.37
▸ NCSTN Q92542 3/20 0.37
▸ APH1A Q96BI3 3/20 0.37
▸ PSENEN Q9NZ42 3/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ TACR1 P25103 3/20 0.36
▸ OPRM1 P35372 1/20 0.36

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
SCHEMBL27304183 0.86 SLC6A2 (0.48) BCHEACHECTSVCTSLCTSB
SCHEMBL20107264 0.85 BCHE (0.43) BCHEACHECTSVCTSLCTSB
SCHEMBL26834074 0.84 SLC6A2 (0.42) BCHEACHESLC6A2PDPK1MTOR
SCHEMBL18857344 0.84 BCHE (0.52) BCHEACHESLC6A2PDE4DSSTR1
SCHEMBL22640958 0.84 BCHE (0.52) BCHEACHESLC6A2PDE4DSSTR1
SCHEMBL24256501 0.84 BCHE (0.52) BCHEACHESLC6A2PDE4DSSTR1
SCHEMBL22640962 0.84 BCHE (0.52) BCHEACHESLC6A2PDE4DSSTR1
Ammonia Solution, Strong SCHEMBL23705109 0.83 BCHE (0.51) BCHEACHESLC6A2PDE4DSSTR1
SCHEMBL27301322 0.81 ALDH1A1 (0.46) BCHEACHECTSVCTSLCTSB
SCHEMBL27304125 0.81 ALDH1A1 (0.46) BCHEACHECTSVCTSLCTSB

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-2024050020-A1 INVARIANT NATURAL KILLER T-CELL ACTIVATORS DECIDUOUS THERAPEUTICS, INC. (US) 2024-03-07 — — WO disclosed
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