SCHEMBL8613437

SCHEMBL8613437

CCOC(=O)C(C)c1ccc(-c2ccc(I)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
ACACB O00763 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8626625 0.95 TSHR (0.40) PTGS2ACACBTDP1LMNATSHR
SCHEMBL11841432 0.82 LMNA (0.38) PTGS2ACACBTDP1ALDH1A1LMNA
SCHEMBL3279844 0.80 KMT2A (0.47) PTGS2TDP1ALDH1A1LMNATSHR
SCHEMBL5634815 0.80 KYAT1 (0.43) PTGS2ACACBALDH1A1LMNAMAPT
SCHEMBL1792502 0.79 ESR1 (0.53) TDP1ALDH1A1LMNAMAPTTSHR
SCHEMBL9235662 0.79 ESR1 (0.53) TDP1ALDH1A1LMNAMAPTTSHR
SCHEMBL9232941 0.79 ESR1 (0.53) TDP1ALDH1A1LMNAMAPTTSHR
SCHEMBL15030577 0.79 MMP8 (0.51) TDP1ALDH1A1LMNATSHRMEN1
SCHEMBL7756843 0.78 PTGS2 (0.50) PTGS2MEN1KMT2A
SCHEMBL6690434 0.78 PTGS2 (0.43) PTGS2LMNATSHR

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-5817739-A POLYESTER; SOLUBILITY; FILM FORMING PROPERTIES; IONIZING POTENTIAL CONTROL FUJI XEROX CO., LTD. (JP) 1998-10-06 US disclosed
US-5736285-A PHOTOSENSITIVE LAYER CONTAINS CHARGE TRANSPORTING POLYESTER AND ATLEAST ONE BISAZO PIGMENT; WEAR RESISTANCE AND ELECTRIC STABILITY FUJI XEROX CO., LTD. (JP) 1998-04-07 US disclosed
US-5731118-A Charge transporting random copolyester resin, process for producing the same and organic electronic device using the same FUJI XEROX CO., LTD. (JP) 1998-03-24 US disclosed