SCHEMBL8557968

SCHEMBL8557968

COC(OC)c1ccc(C(=O)N(CCO)CCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.40
OPRD1 P41143 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
BLM P54132 1/20 0.38
OPRM1 P35372 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
LIMK2 P53671 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
ELANE P08246 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8556376 0.89 EGFR (0.44) MLYCDEGFRERBB2TSHRHPGD
SCHEMBL23709482 0.81 HPGD (0.49) MLYCDOPRD1L3MBTL1EGFRERBB2
SCHEMBL7157289 0.80 ALDH1A1 (0.48) MLYCDL3MBTL1EGFRERBB2LIMK2
SCHEMBL6023472 0.78 CES2 (0.52) OPRD1OPRM1KDM4ELMNATSHR
SCHEMBL12920007 0.76 HPGD (0.48) MLYCDOPRD1L3MBTL1EGFRERBB2
SCHEMBL7456186 0.75 ALDH1A1 (0.46) MLYCDOPRD1L3MBTL1EGFRERBB2
SCHEMBL21788015 0.75 ALDH1A1 (0.53) MLYCDL3MBTL1EGFRERBB2KDM4E
SCHEMBL9825960 0.74 ELANE (0.64) CYP1A2HSP90AA1HSP90AB1BLMKDM4E
SCHEMBL19106102 0.74 OPRD1 (0.48) MLYCDOPRD1HSP90AA1HSP90AB1OPRM1
SCHEMBL9564988 0.73 ALDH1A1 (0.50) MLYCDOPRD1L3MBTL1EGFRERBB2

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
EP-0507950-B1 PROCESS FOR PRODUCING DIACETALS NEW JAPAN CHEM CO LTD (JP) 1998-04-08 EP disclosed
EP-0507950-A1 PROCESS FOR PRODUCING DIACETAL NEW JAPAN CHEMICAL CO.,LTD. (JP) 1992-10-14 EP disclosed