SCHEMBL9851734

SCHEMBL9851734

CCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2ncc3c(=O)[nH]cnc32)[C@H](OC(=O)CCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
CA12 O43570 8/20 0.41
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA9 Q16790 8/20 0.41
CA14 Q9ULX7 8/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TK2 O00142 4/20 0.40
PRKCA P17252 3/20 0.35
ALDH1A1 P00352 1/20 0.34
NLRP3 Q96P20 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
SCHEMBL9851712 1.00 LMNA (0.45) LMNATHRBSMN1; SMN2HIF1ACA12
SCHEMBL9851850 0.93 TK2 (0.42) LMNATHRBSMN1; SMN2HIF1ACA12
SCHEMBL9851753 0.93 TK2 (0.46) LMNATHRBSMN1; SMN2HIF1ACA12
SCHEMBL9851791 0.93 TK2 (0.42) LMNATHRBSMN1; SMN2HIF1ACA12
SCHEMBL9851891 0.93 TK2 (0.46) LMNATHRBSMN1; SMN2HIF1ACA12
SCHEMBL9851871 0.91 TK2 (0.47) TK2PRKCA
SCHEMBL9851726 0.91 TK2 (0.47) TK2PRKCA
SCHEMBL9851715 0.88 ATG7 (0.44)
SCHEMBL9851807 0.88 ATG7 (0.44)
SCHEMBL9851692 0.86 TK2 (0.56) TK2PRKCA

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-0450102-A1 NUCLEOSIDE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (JP) 1991-10-09 EP disclosed