SCHEMBL7213513

SCHEMBL7213513

C(=Cc1ccccc1)CC(C=Cc1ccccc1)(C=Cc1ccccc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PAM P19021 1/20 0.38
HTR2A P28223 3/20 0.36
RELA Q04206 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
TRPA1 O75762 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL11662452 0.74 RELA (0.44) IDO1PPARGHTR2ARELAMMP1
SCHEMBL30872005 0.74 MAOB (0.42) IDO1LMNAPPARGNFE2L2RELA
SCHEMBL7792765 0.69 IDO1 (0.48) IDO1LMNANFE2L2PAMHTR2A
SCHEMBL31414061 0.69 IDO1 (0.48) IDO1LMNANFE2L2PAMHTR2A
SCHEMBL23919129 0.67 HTR2A (0.48) IDO1PAMHTR2AMMP1MMP9
SCHEMBL11048026 0.67 HTR2A (0.48) IDO1PAMHTR2AMMP1MMP9
SCHEMBL11238535 0.67 IDO1 (0.47) IDO1NFE2L2PAMHTR2AMAOB
SCHEMBL452602 0.66 IDO1 (0.68) IDO1PAMHTR2AMMP1MMP9
SCHEMBL452603 0.66 IDO1 (0.68) IDO1PAMHTR2AMMP1MMP9
SCHEMBL11426742 0.66 IDO1 (0.61) IDO1LMNAPPARGNFE2L2PAM

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-6620421-B1 Excellent in disintegration in water and storage stability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-16 US disclosed