SCHEMBL9769878

SCHEMBL9769878

CC(C)(C)CC(C)(C)c1cccc(OC(=O)c2ccccc2Oc2cccc(C(C)(C)CC(C)(C)C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP3A4 P08684 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 4/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 2/20 0.39
MDH1 P40925 1/20 0.38
MDH2 P40926 1/20 0.38
CTNNB1 P35222 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10591307 0.89 NPSR1 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL8373993 0.86 MAPT (0.57) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL5697818 0.84 MAPT (0.48) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9769889 0.84 NPSR1 (0.58) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL9850074 0.76 CYP2C19 (0.69) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9769799 0.76 NPSR1 (0.48) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL28375069 0.75 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL17175317 0.73 HTT (0.51) CYP1A2CYP2C9CYP2C19NPSR1MAPT
SCHEMBL20897095 0.73 MAPT (0.55) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9769820 0.73 KMT2A (0.50) CYP1A2CYP2C9CYP2C19CYP3A4GAA

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-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed