SCHEMBL10592111

SCHEMBL10592111

CCCCCOC(O)C(C)CC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.41
USP2 O75604 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LPAR1 Q92633 4/20 0.35
LPAR3 Q9UBY5 4/20 0.35
LPAR2 Q9HBW0 1/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL13108354 0.93 TSHR (0.34) DNM1USP2SPHK1HTTALDH1A1
SCHEMBL10590797 0.84 HSD17B10 (0.41)
SCHEMBL23300008 0.83 SPHK1 (0.44) DNM1USP2SPHK1HTT
SCHEMBL10379772 0.82 DNM1 (0.43) DNM1USP2SPHK1HTTALDH1A1
SCHEMBL6233191 0.82 DNM1 (0.43) DNM1USP2SPHK1HTTALDH1A1
SCHEMBL4244542 0.80 DNM1 (0.47) DNM1USP2SPHK1HTTALDH1A1
SCHEMBL409835 0.80 DNM1 (0.47) DNM1USP2SPHK1HTTALDH1A1
SCHEMBL16004875 0.80 DNM1 (0.47) DNM1USP2SPHK1HTTALDH1A1
SCHEMBL10441897 0.80 DNM1 (0.47) DNM1USP2SPHK1HTTALDH1A1
SCHEMBL4248716 0.80 DNM1 (0.47) DNM1USP2SPHK1HTTALDH1A1

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
EP-0341713-A2 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1989-11-15 EP disclosed