SCHEMBL9541691

SCHEMBL9541691

C(OCC1CO1)C1CO1.CC(CO)C(C)CO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 4/20 0.33
CYP3A4 P08684 2/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HIF1A Q16665 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31

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
Propylene Glycol SCHEMBL40031 0.87 TSHR (0.47) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
Propylene Glycol SCHEMBL6398929 0.87 TSHR (0.47) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
Propylene Glycol SCHEMBL2120984 0.87 TSHR (0.47) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL49462 0.87 ALDH1A1 (0.47) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL1946788 0.84 TSHR (0.52) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
Isopropyl Alcohol SCHEMBL27564110 0.84 TSHR (0.52) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
Isobutane SCHEMBL1759584 0.84 TSHR (0.56) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL7519033 0.83 TSHR (0.44) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
Propylene Glycol SCHEMBL9690765 0.83 TSHR (0.48) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL15797057 0.82 TSHR (0.50) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993015122-A1 MEDICAL GRADE ADHESIVES AND THEIR PREPARATION THE UNIVERSITY OF AKRON (US) 1993-08-05 WO disclosed
US-5175246-A Reacting aliphatic diamines with diepoxide UNIVERSITY OF AKRON, THE (US) 1992-12-29 US disclosed