SCHEMBL11635523

SCHEMBL11635523

O=C(CO)c1cccc(CCl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.43
TSHR P16473 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
GSK3B P49841 1/20 0.41
HIF1A Q16665 1/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL14544564 0.83 SMN1; SMN2 (0.43) FOLH1TSHRCYP4F2CYP4A11TRPA1
SCHEMBL12235278 0.81 TDP1 (0.48) TSHRTRPA1ALDH1A1MAPK1GSK3B
SCHEMBL28201097 0.81 LOXL2 (0.59) FOLH1TSHRCYP4F2CYP4A11ALDH1A1
SCHEMBL924897 0.81 CYP4F2 (0.49) FOLH1CYP4F2CYP4A11LOXL2
SCHEMBL39676 0.80 TSHR (0.47) FOLH1TSHRCYP4F2CYP4A11ALDH1A1
SCHEMBL46680 0.80 FOLH1 (0.66) FOLH1HIF1ACA1CA2
SCHEMBL28410476 0.80 FOLH1 (0.46) FOLH1TSHRCYP4F2CYP4A11MAPK1
SCHEMBL29472003 0.80 TSHR (0.47) FOLH1TSHRCYP4F2CYP4A11ALDH1A1
SCHEMBL11109822 0.79 NPC1 (0.50) FOLH1CYP4F2CYP4A11FFAR4
SCHEMBL185773 0.78 PARP1 (0.57) FOLH1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117174-A Flavone acetic acid analog derivative, its pharmaceutical composition, Preparation Method And The Use 中国人民解放军军事医学科学院毒物药物研究所 2016-11-16 CN disclosed
CN-101365446-B Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery via implantable medical devices RESVERLOGIX CORP 2013-05-22 CN disclosed
CN-101365446-A Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery via implantable medical devices RESVERLOGIX CORP (CA) 2009-02-11 CN disclosed
CN-1110685-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1995-10-25 CN disclosed
CN-1053613-A Nitrogen-containing spiro ring MERCK & CO INC (US) 1991-08-07 CN disclosed
US-4122200-A 6',2-(2'Arylchromonyl) propionic acids, and analgesic and anti-inflammatory derivatives thereof LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-10-24 US disclosed
US-4097582-A 6',2-(2'-Arylchromonyl) propionic acids, and analgesic and anti-inflammatory derivatives thereof LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-06-27 US disclosed