SCHEMBL6694449

SCHEMBL6694449

C=C(C)c1ccc(OC(C)OC2CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PARP10 Q53GL7 2/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.33
ADCY1 Q08828 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TSHR P16473 1/20 0.32
MDM2 Q00987 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
STS P08842 1/20 0.32

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
SCHEMBL686104 0.98 RAB9A (0.42) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL13082859 0.85 RAB9A (0.41) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6699705 0.85 SMN1; SMN2 (0.38) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6689734 0.84 SMN1; SMN2 (0.40) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6697933 0.81 SMN1; SMN2 (0.35) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6693617 0.81 SMN1; SMN2 (0.35) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL10204759 0.81 RAB9A (0.38) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL15984209 0.81 MEN1 (0.41) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL11125523 0.81 KDM4E (0.38) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6693701 0.80 RAB9A (0.36) SMN1; SMN2NPC1HPGDRAB9ANPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959389-B1 Diazodisulfone compound and radiation-sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
US-6143460-A PHOTOACID GENERATOR PROVIDING IMPROVED PHOTORESIST RESOLUTION JSR CORPORATION (JP) 2000-11-07 US disclosed
EP-0959389-A1 Diazodisulfone compound and radiation-sensitive resin composition JSR Corporation (JP) 1999-11-24 EP disclosed