SCHEMBL9729913

SCHEMBL9729913

CCCCO[C@@H](C)[C@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DNM1 Q05193 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PLA2G4B P0C869 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL9731348 1.00 TSHR (0.37) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL873337 1.00 TSHR (0.37) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9730288 1.00 TSHR (0.37) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9730528 1.00 TSHR (0.37) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9730272 0.93 DNM1 (0.43) ALDH1A1DNM1SPHK1
SCHEMBL9730929 0.91 DNM1 (0.47) DNM1PLA2G4BSPHK1
SCHEMBL9730541 0.91 DNM1 (0.47) DNM1PLA2G4BSPHK1
SCHEMBL9730332 0.91 DNM1 (0.47) DNM1PLA2G4BSPHK1
SCHEMBL9731222 0.91 DNM1 (0.47) DNM1PLA2G4BSPHK1
SCHEMBL9730012 0.91 DNM1 (0.47) DNM1PLA2G4BSPHK1

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
US-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 EP disclosed