SCHEMBL8140261

SCHEMBL8140261

C(OCC1CO1)C1CO1.CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.90
TSHR P16473 4/20 0.90
TP53 P04637 3/20 0.90
MEN1 O00255 3/20 0.90
KMT2A Q03164 3/20 0.90
HIF1A Q16665 3/20 0.90
MAPT P10636 2/20 0.90
HPGD P15428 2/20 0.90
CYP1A2 P05177 1/20 0.90
PPARG P37231 1/20 0.90
TDP1 Q9NUW8 1/20 0.54
PKM P14618 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.44
GLA P06280 1/20 0.42
PSMB1 P20618 1/20 0.41
PSMB5 P28074 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
SCHEMBL17925477 0.95 ALDH1A1 (1.00) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL13317132 0.95 ALDH1A1 (1.00) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL12065399 0.95 ALDH1A1 (1.00) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL22121 0.95 ALDH1A1 (1.00) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL12440176 0.95 ALDH1A1 (1.00) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL31392960 0.95 ALDH1A1 (1.00) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL3231128 0.91 ALDH1A1 (0.80) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL30725 0.90 ALDH1A1 (0.90) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL15386739 0.90 ALDH1A1 (0.90) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL20869690 0.90 ALDH1A1 (0.90) ALDH1A1TSHRTP53MEN1KMT2A

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-6075082-A UNFIRED CERAMIC PRECURSOR INCLUDES AND A WATER SOLUBLE CROSSLINKED POLYAMIDE DERIVED FROM POLYAMINES OR AMINE-ENDCAPPED POLYETHERS OF GIVEN FORMULA AND CROSSLINKING AGENT WITH TWO EPOXIDE, ALDEHYDE, AND/OR CARBOXYLIC ACID GROUPS NALCO CHEMICAL COMPANY (US) 2000-06-13 US claimed