SCHEMBL3780952

SCHEMBL3780952

C=C(C)C(=O)OCCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 4/20 0.56
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
HPGD P15428 6/20 0.53
TSHR P16473 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
NLRP1 Q9C000 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
S1PR4 O95977 1/20 0.46

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
SCHEMBL31530619 0.85 TDP1 (0.62) TDP1ALDH1A1HPGDTSHRRAB9A
SCHEMBL3784500 0.81 TSHR (0.46) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL11656483 0.80 CYP1A2 (0.50) MAPTTDP1ALDH1A1L3MBTL1HPGD
2,4-Dichlorophenoxyacetic Acid SCHEMBL30836929 0.80 TDP1 (0.60) MAPTTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL11342906 0.79 MAPT (0.55) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL3785300 0.79 KMT2A (0.53) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL29135033 0.78 MAPT (0.60) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL8389330 0.78 MAPT (0.73) MAPTTDP1ALDH1A1L3MBTL1HPGD
SCHEMBL8957635 0.77 CYP2C19 (0.48) MAPTTDP1L3MBTL1HPGDRAB9A
SCHEMBL11168993 0.77 NAMPT (0.43) MAPTTDP1ALDH1A1L3MBTL1TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917236-B1 CHROMOPHORIC POLYMER MEMPILE INC (US) 2010-08-18 EP claimed
US-20080197322-A1 ADDITIVES AND COMONOMERS FOR THE ENHANCEMENT OF POLYMER PROPERTIES MEMPILE INC. (US) 2008-08-21 US claimed
EP-1917236-A1 CHROMOPHORIC POLYMER Mempile Inc. (US) 2008-05-07 EP claimed
WO-2007010519-A1 CHROMOPHORIC POLYMER MEMPILE INC. (US) 2007-01-25 WO claimed
EP-1917236-B1 CHROMOPHORIC POLYMER MEMPILE INC (US) 2010-08-18 EP disclosed
US-20080197322-A1 ADDITIVES AND COMONOMERS FOR THE ENHANCEMENT OF POLYMER PROPERTIES MEMPILE INC. (US) 2008-08-21 US disclosed
US-20080197322-A1 ADDITIVES AND COMONOMERS FOR THE ENHANCEMENT OF POLYMER PROPERTIES MEMPILE INC. (US) 2008-08-21 US disclosed
US-20080197322-A1 ADDITIVES AND COMONOMERS FOR THE ENHANCEMENT OF POLYMER PROPERTIES MEMPILE INC. (US) 2008-08-21 US disclosed
EP-1917236-A1 CHROMOPHORIC POLYMER Mempile Inc. (US) 2008-05-07 EP disclosed
WO-2007010519-A1 CHROMOPHORIC POLYMER MEMPILE INC. (US) 2007-01-25 WO disclosed
WO-2007010519-A1 CHROMOPHORIC POLYMER MEMPILE INC. (US) 2007-01-25 WO disclosed