SCHEMBL7606531

SCHEMBL7606531

CC(O)OC(=O)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
GRIN2D O15399 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RARB P10826 6/20 0.43
RARG P13631 6/20 0.43
RARA P10276 5/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL465187 0.93 CA12 (0.50) KDM4ECA1CA2CA12CA7
SCHEMBL28290879 0.88 CA12 (0.59) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL7917046 0.84 SMN1; SMN2 (0.49) KDM4ECA1CA2CA12CA7
SCHEMBL902823 0.83 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL13229042 0.83 CA12 (0.57) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL10081276 0.81 KDM4E (0.66) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL707094 0.80 CA12 (0.67) KDM4ECA1CA2CA12CA7
SCHEMBL319947 0.79 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL8640039 0.79 ADRB2 (0.54) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL6666460 0.79 KDM4E (0.65) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-209992681-U Scintillation detection device 深圳市福瑞康科技有限公司 2020-01-24 CN disclosed
EP-0802938-B1 PROCESS FOR PRODUCING POLYETHYLENE NAPHTHALATE MITSUI CHEMICALS INC (JP) 2002-12-18 EP disclosed
EP-0802896-B1 METHOD FOR PURIFYING CRUDE NAPHTHALENEDICARBOXYLIC ACID MITSUI CHEMICALS INC (JP) 2001-01-03 EP disclosed
US-5811513-A REACTING NAPHTHALENEDICARBOXYLIC ACID WITH ETHYLENE GLYCOL IN THE PRESENCE OF WATER AND CATALYST TO EFFECT ESTERIFICATION, ADVANCING ESTERIFICATION REACTION WHILE REMOVING WATER, CONDUCTING POLYCONDENSATION OF ESTERIFICATION PRODUCT MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
EP-0802896-A1 METHOD FOR PURIFYING CRUDE NAPHTHALENEDICARBOXYLIC ACID MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed
EP-0802938-A1 PROCESS FOR PRODUCING POLYETHYLENE NAPHTHALATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-29 EP disclosed
WO-1997017391-A1 PROCESS FOR PRODUCING POLYETHYLENE NAPHTHALATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-05-15 WO disclosed
WO-1997017318-A1 METHOD FOR PURIFYING CRUDE NAPHTHALENEDICARBOXYLIC ACID MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-05-15 WO disclosed