SCHEMBL6689050

SCHEMBL6689050

C=C(C)c1ccc(OC(CCC)OC2CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
MITF O75030 1/20 0.32
HTT P42858 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 0.31
MDM2 Q00987 1/20 0.31
MMP13 P45452 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX12 P18054 1/20 0.30
STS P08842 3/20 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
SCHEMBL6694774 0.99 SMN1; SMN2 (0.33) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6691451 0.93 ALDH1A1 (0.35) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6694263 0.91 ALDH1A1 (0.33) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6691344 0.90 SMN1; SMN2 (0.36) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6693617 0.88 SMN1; SMN2 (0.35) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6692137 0.81 TAS1R3 (0.35) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL686104 0.80 RAB9A (0.42) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6691114 0.79 TAS1R3 (0.35) ALDH1A1MAPTKDM4ECYP1A2CYP2D6
SCHEMBL6694449 0.78 SMN1; SMN2 (0.40) SMN1; SMN2NPC1HPGDRAB9ANPSR1
SCHEMBL6695290 0.78 TAS1R3 (0.38) SMN1; SMN2NPSR1MEN1KMT2AMAPT

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