SCHEMBL11033451

SCHEMBL11033451

CCCCC(C=Cc1ccccc1C=CC(CCCC)OC(C)=O)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CA2 P00918 1/20 0.38
CYP3A4 P08684 1/20 0.38
CTSK P43235 6/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
CTSH P09668 2/20 0.37
PTGS2 P35354 1/20 0.35
CNR2 P34972 1/20 0.35
GBA1 P04062 1/20 0.35
POLB P06746 1/20 0.35
IAPP P10997 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1171600 0.83 EGFR (0.44) GALR3ALDH1A1CNR2LMNA
SCHEMBL1171601 0.83 EGFR (0.44) GALR3ALDH1A1CNR2LMNA
SCHEMBL9319347 0.81 GALR3 (0.39) GALR3ALDH1A1PTGS2
SCHEMBL9319352 0.81 GALR3 (0.39) GALR3ALDH1A1PTGS2
SCHEMBL29275508 0.76 GALR3 (0.37) GALR3ALDH1A1CA2CTSK
SCHEMBL9997682 0.74 THRA (0.42) CYP3A4PTGS2
SCHEMBL9997680 0.74 THRA (0.42) CYP3A4PTGS2
SCHEMBL9518472 0.73 GALR3 (0.45) GALR3ALDH1A1
SCHEMBL9518479 0.73 GALR3 (0.45) GALR3ALDH1A1
SCHEMBL9518486 0.73 GALR3 (0.45) GALR3ALDH1A1

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-4529556-A Aryl substituted with hydroxy, epoxy or glycidyl groups THE DOW CHEMICAL COMPANY (US) 1985-07-16 US disclosed