SCHEMBL9100003

SCHEMBL9100003

C#CC(O)(c1ccccc1)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 3/20 0.40
AHR P35869 2/20 0.39
BCAT1 P54687 1/20 0.38
CYP1A2 P05177 2/20 0.36
TTR P02766 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOA P21397 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9101496 0.83 MEN1 (0.39) MAPTKDM4EHPGDNPC1MEN1
SCHEMBL9101266 0.80 MAPT (0.41) MAPTKDM4EHPGDNPC1MEN1
SCHEMBL362964 0.75 TSHR (0.43) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL31558552 0.74 NPC1 (0.50) MAPTKDM4EHPGDNPC1MEN1
SCHEMBL12060916 0.71 MAPT (0.53) MAPTKDM4EHPGDNPC1MEN1
SCHEMBL11574355 0.70 CYP19A1 (0.49) KDM4ENPC1RAB9ALMNAHSD17B10
SCHEMBL7734271 0.70 CYP2C9 (0.48) NPC1ALDH1A1RAB9ATSHR
SCHEMBL26629595 0.70 ESR1 (0.52) HPGDNPC1MEN1KMT2AALDH1A1
SCHEMBL9251887 0.70 CYP19A1 (0.43) MAPTKDM4EHPGDNPC1MEN1
SCHEMBL7816281 0.69 KIF11 (0.44) MAPTHPGDNPC1SMN1; SMN2ALDH1A1

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-5552091-A PHOTOCHROMIC, LENSES PPG INDUSTRIES, INC. (US) 1996-09-03 US disclosed