SCHEMBL28028547

SCHEMBL28028547

CCC=C(COCC1CO1)OCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL28035292 0.87 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27916720 0.84 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27916735 0.84 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27835438 0.84 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28035244 0.83 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL27899219 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TDP1
SCHEMBL15065349 0.76 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL15065351 0.76 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1TDP1TP53CYP3A4
SCHEMBL15064568 0.74 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1TP53CYP3A4
SCHEMBL15064567 0.74 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1TP53CYP3A4

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-104981515-A Composition for printing medium and printing medium YUPO CORP 2015-10-14 CN disclosed
CN-104968737-A USE OF SUBSTITUTED BENZYL ALCOHOLS IN REACTIVE EPOXY SYSTEMS EVONIK DEGUSSA GMBH 2015-10-07 CN disclosed