SCHEMBL9163540

SCHEMBL9163540

CC(=O)Oc1c(CCCCCBr)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 1/20 0.52
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
PTGS2 P35354 3/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
TSHR P16473 1/20 0.42
GGT1 P19440 1/20 0.42
PTGS1 P23219 1/20 0.42
BLM P54132 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC16A3 O15427 5/20 0.40
BID P55957 3/20 0.39

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
SCHEMBL9153858 0.89 KDM4E (0.58) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL7184449 0.85 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL18685991 0.85 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL9509076 0.83 PPARA (0.54) KDM4EALDH1A1MAPK1PPARAPPARG
SCHEMBL3419303 0.83 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL18000031 0.80 KDM4E (0.58) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL5176423 0.79 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL16719153 0.79 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL10966383 0.79 TSHR (0.46) KDM4EHSD17B10ALDH1A1HPGDMAPK1
SCHEMBL3130804 0.79 PTGS2 (0.53) KDM4EHSD17B10ALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5589490-A BENZAMIDE DERIVATIVES WITH NITROXY ALKYL GROUPS ITALFARMACO S.P.A. (IT) 1996-12-31 US disclosed
EP-0540544-B1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO SPA (IT) 1995-02-15 EP disclosed
US-5366992-A IN MIXTURE WITH AN EXCIPIENT ITALFARMACO S.P.A. (IT) 1994-11-22 US disclosed
EP-0540544-A1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY. ITALFARMACO SPA (IT) 1993-05-12 EP disclosed
WO-1992001668-A1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1992-02-06 WO disclosed