SCHEMBL9276799

SCHEMBL9276799

C=Cc1ccc(OCCCCCCCCCCC(=O)OCC(COC(C)=O)OCCCCCCCCCCCCCCCCCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.46
▸ PLA2G4B P0C869 2/20 0.45
▸ PRKCA P17252 4/20 0.45
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CNR1 P21554 1/20 0.41
▸ PRKCE Q02156 1/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ PRKCD Q05655 1/20 0.41

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
SCHEMBL8816423 0.91 CNR2 (0.52) CNR2PLA2G4BPRKCALMNACNR1
SCHEMBL13933052 0.84 DGKA (0.53) CNR2PLA2G4BTP53TSHR
SCHEMBL13933053 0.84 DGKA (0.53) CNR2PLA2G4BTP53TSHR
SCHEMBL13933056 0.80 TSHR (0.59) CNR2PLA2G4BMAPTALDH1A1LMNA
SCHEMBL19062107 0.77 CNR1 (0.65) CNR2PRKCAMAPTALDH1A1CNR1
SCHEMBL3176361 0.77 CNR1 (0.65) CNR2PRKCAMAPTALDH1A1CNR1
SCHEMBL3937050 0.77 LMNA (0.70) PRKCAMAPTALDH1A1LMNAPRKCE
SCHEMBL6338116 0.76 CHRNB2 (0.50) MAPTTP53TSHR
SCHEMBL16012189 0.75 ALDH1A1 (0.56) PRKCAMAPTALDH1A1LMNATSHR
SCHEMBL6378043 0.75 BRD4 (0.52) MAPT

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-5436170-A Crosslinking COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1995-07-25 — — US disclosed
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