SCHEMBL9358992

SCHEMBL9358992

C=C(CC(=O)OCc1cccc(Br)c1)C(=O)OCc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.55
HCAR2 Q8TDS4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSP90AA1 P07900 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
MAOB P27338 5/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL8979698 0.82 MAPT (0.47) MMP1IDO1MAOBALDH1A1SMN1; SMN2
SCHEMBL1045139 0.82 ALDH1A1 (0.58) HCAR2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL26038096 0.81 HCAR2 (0.55) GLAHCAR2CYP1A2CYP3A4CYP2D6
SCHEMBL20954673 0.81 GLA (0.59) GLAHCAR2CYP1A2CYP3A4CYP2D6
SCHEMBL27808992 0.79 GLA (0.58) GLAHCAR2CYP1A2CYP3A4CYP2D6
SCHEMBL9355221 0.77 ALDH1A1 (0.45) GLAMMP1MMP2MMP9MMP12
SCHEMBL20954540 0.76 GLA (0.54) GLAHCAR2CYP1A2CYP3A4CYP2D6
SCHEMBL24241987 0.75 CYP1A2 (0.56) GLAHCAR2CYP1A2CYP3A4CYP2D6
SCHEMBL4269762 0.74 CYP1A2 (0.62) GLAHCAR2CYP1A2CYP3A4CYP2D6
SCHEMBL27342289 0.74 HSP90AA1 (0.60) GLAHCAR2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242618-B1 Transparent optical article and process for preparing same NIPPON OILS & FATS CO LTD (JP) 1994-11-02 EP claimed
US-4948854-A COPOLYMER INCLUDING ITACONIC ACID DIESTER SEIKO EPSON CORPORATION (JP) 1990-08-14 US claimed
EP-0242618-A2 Transparent optical article and process for preparing same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-10-28 EP claimed
EP-0242618-B1 Transparent optical article and process for preparing same NIPPON OILS & FATS CO LTD (JP) 1994-11-02 EP disclosed
US-4948854-A COPOLYMER INCLUDING ITACONIC ACID DIESTER SEIKO EPSON CORPORATION (JP) 1990-08-14 US disclosed
EP-0242618-A2 Transparent optical article and process for preparing same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-10-28 EP disclosed