SCHEMBL28074797

SCHEMBL28074797

C(OCC1CO1)C1CO1.COCC(C)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.38
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL2367662 0.88 TSHR (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL16039188 0.86
SCHEMBL246814 0.86
SCHEMBL16115060 0.86
SCHEMBL8199161 0.84 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Isopropyl Alcohol SCHEMBL27564110 0.83 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1946788 0.83 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL28971841 0.82 HSD17B10 (0.39) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Propylene Glycol SCHEMBL40031 0.82 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Propylene Glycol SCHEMBL2120984 0.82 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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
CN-105837861-A Composite natural polymer gel material 苏鑫 2016-08-10 CN claimed
CN-105837861-A Composite natural polymer gel material 苏鑫 2016-08-10 CN disclosed