SCHEMBL8313997

SCHEMBL8313997

CCOC(=O)C1=CC(CF)(CF)Oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
GLA P06280 2/20 0.49
CTDSP1 Q9GZU7 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.41
KDM4E B2RXH2 3/20 0.40
BLM P54132 2/20 0.40
GRM1 Q13255 1/20 0.40
PMP22 Q01453 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
APAF1 O14727 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL8313694 0.83 ALPG (0.41) MAPTALDH1A1KMT2ATSHRKDM4E
SCHEMBL6269237 0.83 LMNA (0.40) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL6269700 0.83 ALDH1A1 (0.36) MAPTALDH1A1GLACTDSP1MEN1
Hydrochloric Acid SCHEMBL8316265 0.82 LMNA (0.40) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL8316452 0.80 OPRD1 (0.35) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL6268793 0.79 ALDH1A1 (0.33) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL8313588 0.78 OPRD1 (0.40) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL6269249 0.77 MLYCD (0.32) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL8316142 0.77 KMT2A (0.35) MAPTALDH1A1GLACTDSP1MEN1
SCHEMBL7487263 0.71 ALDH1A1 (0.47) MAPTALDH1A1GLACTDSP1MEN1

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-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed