SCHEMBL9649772

SCHEMBL9649772

O=C(OOOC1CCCCC1)OC(=O)OOOC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
NAAA Q02083 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL11669033 0.91 EPHX1 (0.38) EPHX1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL960718 0.91 EPHX1 (0.38) EPHX1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4597818 0.87 EPHX1 (0.35) EPHX1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7778970 0.80 EPHX1 (0.36) EPHX1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL258321 0.79 EPHX1 (0.41) EPHX1CYP2C19CA1CA2NAAA
SCHEMBL22733772 0.77 EPHX1 (0.40) EPHX1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7106072 0.75 EPHX1 (0.39) EPHX1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5025863 0.73 EPHX1 (0.47) EPHX1SMN1; SMN2CES2CES1CYP2C19
SCHEMBL8726343 0.72 EPHX1 (0.50) EPHX1SMN1; SMN2CES2CES1CYP2C19
SCHEMBL774622 0.72 EPHX1 (0.50) EPHX1SMN1; SMN2CES2CES1CYP2C19

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-0324554-B1 IMPROVEMENTS IN RUBBER FOR MEDICAL OR PHARMACEUTICAL ARTICLES DAIKYO GOMU SEIKO LTD. (JP) 1992-11-11 EP disclosed
EP-0324554-A1 Improvements in rubber for medical or pharmaceutical articles DAIKYO GOMU SEIKO LTD. (JP) 1989-07-19 EP disclosed