SCHEMBL12134166

SCHEMBL12134166

CCCC(C)(CC)Oc1ccc(C(C)(C)c2ccc(OC(=O)c3ccccc3)c(C)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
VDR P11473 1/20 0.37
CYP3A4 P08684 1/20 0.37
MDM2 Q00987 1/20 0.35
ESR1 P03372 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL3607757 0.93 MAPT (0.44) MAPTKMT2ATDP1L3MBTL1MEN1
SCHEMBL12352799 0.88 VDR (0.35) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL253728 0.88 MRGPRX4 (0.34) MAPTKMT2AMEN1MRGPRX4VDR
SCHEMBL14407197 0.87 TDP1 (0.39) MAPTKMT2ATDP1L3MBTL1MEN1
SCHEMBL12187356 0.86 MAPT (0.44) MAPTKMT2ATDP1L3MBTL1MEN1
SCHEMBL12352730 0.85 VDR (0.36) NPSR1VDRESR1
SCHEMBL12045003 0.83 MAPT (0.48) MAPTKMT2ATDP1L3MBTL1MEN1
SCHEMBL13084143 0.83 MAPT (0.41) MAPTKMT2ATDP1L3MBTL1MEN1
SCHEMBL8646509 0.82 MAPT (0.51) MAPTKMT2ATDP1L3MBTL1MEN1
SCHEMBL12548607 0.81 KMT2A (0.52) MAPTKMT2ATDP1L3MBTL1MEN1

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-20090180807-A1 IMAGE FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2009-07-16 US disclosed