SCHEMBL23656392

SCHEMBL23656392

CCCCC/C=C\C/C=C\CCCCCCCCOc1cc(COSC)cc(OCCCCCCCC/C=C\C/C=C\CCCCC)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ PTPN7 P35236 1/20 0.38

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
SCHEMBL16023964 0.82 ALDH1A1 (0.48) ALDH1A1CNR1CNR2DUSP3PTPN7
SCHEMBL17685706 0.82 ALDH1A1 (0.48) ALDH1A1CNR1CNR2DUSP3PTPN7
SCHEMBL17685747 0.81 ALDH1A1 (0.40) ALDH1A1DUSP3PTPN7
SCHEMBL16154814 0.81 ALDH1A1 (0.40) ALDH1A1DUSP3PTPN7
SCHEMBL16013506 0.80 ALDH1A1 (0.40) ALDH1A1CNR1CNR2DUSP3PTPN7
SCHEMBL16013507 0.80 ALDH1A1 (0.40) ALDH1A1CNR1CNR2DUSP3PTPN7
SCHEMBL16154815 0.80 ALDH1A1 (0.40) ALDH1A1CNR1CNR2DUSP3PTPN7
SCHEMBL28583538 0.77 ALDH1A1 (0.40) ALDH1A1DUSP3PTPN7
SCHEMBL25076648 0.76 ALDH1A1 (0.51) ALDH1A1CNR1CNR2DUSP3
SCHEMBL17685721 0.75 PLA2G2A (0.55) ALDH1A1DUSP3PTPN7

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-3608308-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2021-07-21 — — EP disclosed
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