SCHEMBL26720306

SCHEMBL26720306

CCCCCCCCCC(C)COc1ccc2c(c1)N(C(C)C)C(C)N2C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.33
▸ THRB P10828 2/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ PLA2G4B P0C869 2/20 0.31
▸ S1PR1 P21453 3/20 0.31
▸ THRA P10827 1/20 0.31
▸ SIGMAR1 Q99720 2/20 0.30
▸ S1PR4 O95977 2/20 0.30
▸ S1PR5 Q9H228 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ SMPD1 P17405 1/20 0.30
▸ NR5A1 Q13285 1/20 0.30

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
SCHEMBL26720292 0.90 GPR88 (0.35) —
SCHEMBL17916651 0.86 NR5A1 (0.43) THRBPLA2G4BTHRATSHRHTR1B
SCHEMBL26721979 0.74 MEN1 (0.35) THRBSIGMAR1
SCHEMBL26720272 0.74 — —
SCHEMBL20357889 0.72 RARB (0.46) SLC2A1PLA2G4BS1PR1S1PR4S1PR5
SCHEMBL15723349 0.72 CETP (0.47) TSHR
SCHEMBL10505149 0.72 SLC2A1 (0.43) SLC2A1THRBPLA2G4BS1PR1S1PR4
SCHEMBL10504420 0.72 SLC2A1 (0.43) SLC2A1THRBPLA2G4BS1PR1S1PR4
SCHEMBL10505261 0.72 SLC2A1 (0.43) SLC2A1THRBPLA2G4BS1PR1S1PR4
SCHEMBL25888810 0.71 SLC2A1 (0.45) SLC2A1PLA2G4BS1PR1S1PR4S1PR5

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
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 — — US disclosed
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