SCHEMBL28005755

SCHEMBL28005755

C=CC(=O)OCC(Cl)CCCCO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11121839 0.84 APP (0.33) TSHR
SCHEMBL11121837 0.84 APP (0.33) TSHR
SCHEMBL8162799 0.83 TSHR (0.58) TSHRALDH1A1CYP3A4HPGD
SCHEMBL3831366 0.83 TSHR (0.66) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11032524 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9602823 0.80 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10557592 0.79 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27756822 0.79 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19845032 0.79 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28586094 0.79 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4

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
CN-104835551-A Highly conductive water-based ink SUN CHEMICAL CORP 2015-08-12 CN disclosed