SCHEMBL3451389

SCHEMBL3451389

C=C(CCCO)C(=O)O.C=C(CCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
HDAC1 Q13547 6/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC3 O15379 4/20 0.47
HDAC5 Q9UQL6 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 2/20 0.44

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
Methacrylic Acid SCHEMBL14801649 0.94 ALDH1A1 (0.50) KEAP1HDAC1HDAC2HDAC8HDAC6
SCHEMBL30529 0.89 KEAP1 (0.61) KEAP1HDAC1HDAC2HDAC8HDAC6
SCHEMBL17940817 0.85 FFAR1 (0.64) KEAP1HDAC1HDAC2HDAC8HDAC6
SCHEMBL4666437 0.85 HDAC1 (0.64) KEAP1HDAC1HDAC2HDAC8HDAC6
SCHEMBL114130 0.85 HDAC1 (0.64) KEAP1HDAC1HDAC2HDAC8HDAC6
SCHEMBL5188944 0.85 MEN1 (0.43) KEAP1HDAC1HDAC2HDAC8HDAC6
Succinic Acid SCHEMBL14801749 0.84 KEAP1 (0.67) KEAP1HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL11273048 0.84 HDAC1 (0.62) KEAP1HDAC1HDAC2HDAC8HDAC6
SCHEMBL443150 0.84 MAPT (0.63) HDAC1HDAC2HDAC8HDAC6HDAC3
Methacrylic Acid SCHEMBL6327596 0.82 ALDH1A1 (0.45) KEAP1HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820735-B2 Ink composition for a color filter, a color filter substrate manufactured using the ink composition and method of manufacturing a color filter substrate using the ink composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-10-26 US disclosed
US-20060128832-A1 Ink composition for a color filter, a color filter substrate manufactured using the ink composition and method of manufacturing a color filter substrate using the ink composition SAMSUNG ELECTRONICS CO., LTD. 2006-06-15 US disclosed