SCHEMBL20102193

SCHEMBL20102193

COCCN(CCOC)CCOCCOCCOc1c(C)cccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
HTR2A P28223 2/20 0.41
DRD2 P14416 1/20 0.41
SCN8A Q9UQD0 4/20 0.38
SCN4A P35499 3/20 0.38
LMNA P02545 2/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
KCNK3 O14649 1/20 0.38
CACNA1F O60840 1/20 0.38
KCNK2 O95069 1/20 0.38

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
SCHEMBL13829240 0.90 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2HTR2ADRD2
SCHEMBL17668299 0.86 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2HTR2ADRD2
SCHEMBL13406727 0.83 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL2027223 0.83 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL178580 0.83 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL13376537 0.81 HTR1A (0.41) KDM4EALDH1A1SMN1; SMN2HTR2ADRD2
SCHEMBL108906 0.80 ALDH1A1 (0.40) KDM4EALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL12386377 0.79 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNACYP1A2CYP2D6
Dimethylformamide SCHEMBL28355233 0.78 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HTR2ADRD2
SCHEMBL13406724 0.77 PKM (0.46) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6

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
US-20180120701-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MASK BLANK INCLUDING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed