SCHEMBL7214604

SCHEMBL7214604

CC(OC=O)Oc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTR1B P28222 9/20 0.45
NR2E1 Q9Y466 1/20 0.44
HTR1D P28221 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PGR P06401 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HRH1 P35367 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 2/20 0.40

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
SCHEMBL6831487 0.84 HTR1B (0.50) CYP1A2CYP2C19CYP2C9HTR1BNR2E1
SCHEMBL11784563 0.83 HTR1B (0.45) CYP1A2CYP2C19MAPTCYP2C9HTR1B
SCHEMBL9654112 0.80 HTR1B (0.47) CYP1A2CYP2C19CYP2C9HTR1BNR2E1
SCHEMBL27322002 0.79 CYP1A2 (0.49) CYP1A2CYP2C19MAPTCYP2C9HTR1B
SCHEMBL1356983 0.77 HTR1B (0.47) CYP1A2CYP2C19MAPTCYP2C9HTR1B
SCHEMBL6712567 0.77 KDM4E (0.44) CYP1A2CYP2C19MAPTCYP2C9HTR1B
SCHEMBL4982131 0.76 CYP1A2 (0.56) CYP1A2CYP2C19MAPTCYP2C9HTR1B
SCHEMBL10768376 0.76 KCNA3 (0.49) CYP1A2CYP2C19HTR1BNR2E1ALDH1A1
SCHEMBL10391164 0.75 ALDH1A1 (0.47) CYP1A2CYP2C19NR2E1ALDH1A1HSD17B10
SCHEMBL5144038 0.75 ALDH1A1 (0.44) CYP1A2CYP2C19MAPTCYP2C9NR2E1

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
US-6623907-B2 Chemical amplified photoresist JSR CORPORATION (JP) 2003-09-23 US disclosed
US-20010023050-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2001-09-20 US disclosed
EP-1122605-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2001-08-08 EP disclosed