SCHEMBL9417359

SCHEMBL9417359

O=C(O)c1ccccc1C(=O)OCC(O)COC(=O)c1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TSHR P16473 2/20 0.59
ALOX15 P16050 1/20 0.52
ADRB2 P07550 10/20 0.50
ADRB1 P08588 10/20 0.50
ADRB3 P13945 10/20 0.50
CA2 P00918 1/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL120453 0.91 ALDH1A1 (0.56) ALDH1A1TSHRALOX15ADRB2ADRB1
SCHEMBL31344470 0.91 MEN1 (0.56) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL1513876 0.90 ALDH1A1 (0.57) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL828389 0.89 ALDH1A1 (0.61) ALDH1A1TSHRALOX15ADRB2ADRB1
SCHEMBL21603040 0.88 ALDH1A1 (0.49) ALDH1A1TSHRALOX15ADRB2ADRB1
SCHEMBL29829102 0.88 ALDH1A1 (0.49) ALDH1A1TSHRALOX15ADRB2ADRB1
SCHEMBL21381470 0.87 ALDH1A1 (0.55) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL10963020 0.87 ALDH1A1 (0.50) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4597929 0.86 ALDH1A1 (0.66) ALDH1A1TSHRALOX15ADRB2ADRB1
SCHEMBL28522097 0.86 ALDH1A1 (0.57) ALDH1A1TSHRALOX15ADRB2ADRB1

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-5322907-A A polyglycidyl compound as crosslinking agent; weatherability CIBA-GEIGY CORPORATION (US) 1994-06-21 US disclosed