SCHEMBL8019696

SCHEMBL8019696

O=C(O)CCc1ccccc1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.59
KEAP1 Q14145 1/20 0.56
FFAR1 O14842 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTGER1 P34995 2/20 0.51
PTGER4 P35408 2/20 0.51
PTGER3 P43115 2/20 0.51
PTGER2 P43116 2/20 0.51
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL59198 0.91 KEAP1 (0.65) AKR1B1KEAP1FFAR1PTGER1PTGER4
SCHEMBL29410826 0.86 AKR1B1 (0.76) AKR1B1TDP1ADRA1ABCAT2CXCL8
SCHEMBL30359 0.86 AKR1B1 (0.76) AKR1B1TDP1ADRA1ABCAT2CXCL8
SCHEMBL9787626 0.86 L3MBTL1 (0.53) AKR1B1KEAP1FFAR1PTGER1PTGER4
SCHEMBL10355521 0.84 MAPT (0.61) AKR1B1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL10355897 0.84 MAPT (0.61) AKR1B1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL10355465 0.84 MAPT (0.61) AKR1B1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL10355522 0.84 MAPT (0.61) AKR1B1HDAC3MAPK1ADRA1AHDAC4
Iodide SCHEMBL31305035 0.84 AKR1B1 (0.73) AKR1B1TDP1ADRA1ABCAT2CXCL8
Hydrochloric Acid SCHEMBL6767821 0.84 AKR1B1 (0.73) AKR1B1TDP1ADRA1ABCAT2CXCL8

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
WO-2020253077-A1 USE OF DICARBOXYLIC ACID COMPOUNDS FOR CONTROLLING PLANT DISEASES CHINA AGRICULTURAL UNIVERSITY (CN) 2020-12-24 WO disclosed
CN-100351325-C Polyanhydrides, process for the preparation, use in antifouling paint and antifouling paint containing polyanhydrides JOTUN AS (NO) 2007-11-28 CN disclosed
CN-1780885-A Polyanhydrides, method for the production thereof, use thereof in antifouling paints, and antifouling paints containing polyanhydrides JOTUN AS (NO) 2006-05-31 CN disclosed
CN-1063180-C 5H, 10H-imidazo [1, 2 -a] indeno [1, 2 -e] pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE POULENC RORER SA (FR) 2001-03-14 CN disclosed
US-6100264-A 5H, 10H-imidazo [1,2-A] indeno [1,2-E] pyrazin-4-one derivatives, their preparation, their intermediates and medicaments containing them RHONE-POULENC RORER, S.A. (FR) 2000-08-08 US disclosed
US-6057454-A USEFUL FOR TREATING OR PREVENTING ALL ISCHAEMIAS (SUCH AS FOCAL OR GLOBAL ISCHAEMIA) RESULTING FROM CEREBROVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2000-05-02 US disclosed
US-5990108-A USEFUL AS ANTAGONISTS OF THE ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID (AMPA) RECEPTOR, ALSO KNOWN AS THE QUISQUALATE RECEPTOR, AND AS ANTAGONISTS OF THE N-METHYL-D-ASPARTATE (NMDA) RECEPTOR RHONE POULENC RORER S.A. (FR) 1999-11-23 US disclosed
US-5902803-A 5H,10H-imidazo 1,2-a!indeno 1,2-e!pyrazin-4-one derivatives, preparation thereof, and drugs containing said derivatives RHONE-POULENC RORER S.A. (FR) 1999-05-11 US disclosed
CN-1207102-A 5h,10h-imidazo[1,2-alpha] indeno [1,2-3] pyrazine-4-one derivatives preparation thereof, intermediates thereof and drugs containing same RHONE POULENC RORER SA (FR) 1999-02-03 CN disclosed
CN-1180357-A 5H, 10H-imidazo [1, 2-a ] indeno [1, 2-e ] pyrazin-4-one derivatives, preparation thereof and medicaments containing same RHONE POULENC RORER SA (FR) 1998-04-29 CN disclosed
US-4021408-A DYES, PESTICIDES, STABILIZERS FOR POLYMERS BASF AKTIENGESELLSCHAFT (DT) 1977-05-03 US disclosed