SCHEMBL25685182

SCHEMBL25685182

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)c(C(=O)OC(C)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.55
▸ CNR2 P34972 4/20 0.55
▸ MAPT P10636 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PSMB11 A5LHX3 2/20 0.49
▸ PSMA7 O14818 2/20 0.49
▸ PSMB1 P20618 2/20 0.49
▸ PSMA1 P25786 2/20 0.49
▸ PSMA2 P25787 2/20 0.49
▸ PSMA3 P25788 2/20 0.49
▸ PSMA4 P25789 2/20 0.49
▸ PSMB8 P28062 2/20 0.49
▸ PSMB9 P28065 2/20 0.49
▸ PSMA5 P28066 2/20 0.49
▸ PSMB4 P28070 2/20 0.49
▸ PSMB6 P28072 2/20 0.49
▸ PSMB5 P28074 2/20 0.49
▸ PSMB10 P40306 2/20 0.49
▸ PSMB3 P49720 2/20 0.49
▸ PSMB2 P49721 2/20 0.49

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
SCHEMBL17716261 0.85 CNR1 (0.55) CNR1CNR2MAPTKMT2APSMB11
SCHEMBL2677644 0.84 CNR1 (0.59) CNR1CNR2MAPTKMT2APSMB11
SCHEMBL2677643 0.84 CNR1 (0.59) CNR1CNR2MAPTKMT2APSMB11
SCHEMBL5943469 0.82 CNR1 (0.54) CNR1CNR2MAPTKMT2APSMB11
SCHEMBL1824277 0.82 CNR1 (0.54) CNR1CNR2MAPTKMT2APSMB11
SCHEMBL17716482 0.81 CNR1 (0.60) CNR1CNR2MAPTKMT2APSMB11
SCHEMBL2678367 0.81 CNR1 (0.74) CNR1CNR2MAPTKMT2APSMB11
SCHEMBL2678363 0.81 CNR1 (0.74) CNR1CNR2MAPTKMT2APSMB11
SCHEMBL5941247 0.80 KMT2A (0.62) CNR1CNR2MAPTKMT2APSMB11
SCHEMBL13251639 0.80 CNR1 (0.57) CNR1CNR2MAPTKMT2APSMB11

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-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 — — EP disclosed
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