SCHEMBL9730272

SCHEMBL9730272

CCCCCOC(C)C(C)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.43
USP2 O75604 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LPAR1 Q92633 4/20 0.37
LPAR3 Q9UBY5 4/20 0.37
LPAR2 Q9HBW0 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 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
SCHEMBL9730012 0.98 DNM1 (0.47) DNM1USP2SPHK1HTTLPAR1
SCHEMBL9730929 0.98 DNM1 (0.47) DNM1USP2SPHK1HTTLPAR1
SCHEMBL9731506 0.98 DNM1 (0.47) DNM1USP2SPHK1HTTLPAR1
SCHEMBL9730541 0.98 DNM1 (0.47) DNM1USP2SPHK1HTTLPAR1
SCHEMBL9731222 0.98 DNM1 (0.47) DNM1USP2SPHK1HTTLPAR1
SCHEMBL9730332 0.98 DNM1 (0.47) DNM1USP2SPHK1HTTLPAR1
SCHEMBL9731348 0.93 TSHR (0.37) DNM1SPHK1ALDH1A1
SCHEMBL9730288 0.93 TSHR (0.37) DNM1SPHK1ALDH1A1
SCHEMBL9729913 0.93 TSHR (0.37) DNM1SPHK1ALDH1A1
SCHEMBL873337 0.93 TSHR (0.37) DNM1SPHK1ALDH1A1

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