SCHEMBL6175690

SCHEMBL6175690

CC(=O)c1cc(F)cc(C(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
AKR1C2 P52895 3/20 0.42
AKR1C1 Q04828 3/20 0.42
HCAR1 Q9BXC0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HMGB1 P09429 1/20 0.40
CXCL12 P48061 1/20 0.40
MEN1 O00255 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
AKR1C4 P17516 2/20 0.39
AKR1C3 P42330 2/20 0.39
ALB P02768 1/20 0.39
TTR P02766 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HPGD P15428 3/20 0.37

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
SCHEMBL30845519 0.81 MEN1 (0.46) KDM4EMEN1NSD2POLBMAPT
SCHEMBL471441 0.81 ERN1 (0.50) AKR1C2AKR1C1KDM4EMEN1NSD2
SCHEMBL6175983 0.81 CSNK2A1 (0.50) AKR1C2AKR1C1HCAR1KDM4EHMGB1
SCHEMBL22133771 0.81 MEN1 (0.46) KDM4EMEN1NSD2POLBMAPT
SCHEMBL29794231 0.81 ERN1 (0.50) AKR1C2AKR1C1KDM4EMEN1NSD2
SCHEMBL23302962 0.79 HMGB1 (0.58) KEAP1AKR1C2AKR1C1HCAR1KDM4E
SCHEMBL138319 0.79 ALDH1A1 (0.55) AKR1C2AKR1C1KDM4EHMGB1CXCL12
SCHEMBL11302359 0.79 TTR (0.41) AKR1C2AKR1C1KDM4EHMGB1CXCL12
SCHEMBL6175731 0.79 AKR1C3 (0.64) AKR1C2AKR1C1KDM4EHMGB1CXCL12
SCHEMBL6175638 0.79 AKR1C2 (0.64) AKR1C2AKR1C1HCAR1KDM4EHMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111875570-A Synthetic method of fluorine-containing carboxylic acid flavone-amino acid derivative 郑州师范学院 2020-11-03 CN claimed
CN-111875570-A Synthetic method of fluorine-containing carboxylic acid flavone-amino acid derivative 郑州师范学院 2020-11-03 CN disclosed
EP-0834510-B1 Flavone derivative and medicine comprising the same KOWA CO (JP) 2005-02-23 EP disclosed
EP-0902007-B1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2003-11-05 EP disclosed
US-6136848-A ANTIALLERGENS; ASTHMA THERAPY KOWA CO., LTD. (JP) 2000-10-24 US disclosed
US-6046212-A ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2000-04-04 US disclosed
EP-0902007-A1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-03-17 EP disclosed
EP-0834510-A2 Flavone derivative and medicine comprising the same KOWA CO. LTD. (JP) 1998-04-08 EP disclosed
US-4146631-A ANTIALLERGENS, RESPIRATORY DISORDERS MAY & BAKER LIMITED (GB) 1979-03-27 US disclosed