SCHEMBL6998511

SCHEMBL6998511

O=Cc1c(CCC(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.47
ERN1 O75460 1/20 0.44
MAPT P10636 1/20 0.42
FFAR1 O14842 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GRIA2 P42262 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7310321 0.89 F13A1 (0.43) FBP1ERN1MAPTKMT2ATDP1
Hydrochloric Acid SCHEMBL7313325 0.88 F13A1 (0.42) FBP1ERN1MAPTKMT2ATDP1
SCHEMBL1573514 0.84 ALDH1A1 (0.56) FBP1ALDH1A1TSHRKDM4EKMT2A
SCHEMBL6002942 0.84 ALDH1A1 (0.56) FBP1ALDH1A1TSHRKDM4EKMT2A
SCHEMBL28961939 0.83 ERN1 (0.47) ERN1MAPTGPR35ALDH1A1TSHR
SCHEMBL30166416 0.80 FBP1 (0.48) FBP1MAPTFFAR1GPR35GRIA2
SCHEMBL28138111 0.80 FBP1 (0.48) FBP1FFAR1GPR35GRIA2ALDH1A1
SCHEMBL10939157 0.80 GRIA2 (0.50) FBP1FFAR1GPR35GRIA2ALDH1A1
SCHEMBL11338808 0.80 TDP1 (0.55) FBP1FFAR1GPR35GRIA2ALDH1A1
SCHEMBL10628178 0.80 ALDH1A1 (0.50) ERN1MAPTALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1241169-B1 Isoindoloindolone derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-08-27 EP disclosed
US-6465660-B1 PARTICULARLY 2-HYDROXY-8,9-DIMETHOXYISOINDOLO(2,1-A)INDOL-6-ONE AND 2-HYDROXY-8,9-DIMETHOXYISOINDOLO(2,1-A)INDOL-6-ONE; TREATING A DISORDER OF THE MELATONINERGIC SYSTEM LES LABORATOIRES SERVIER (FR) 2002-10-15 US disclosed
EP-1241169-A1 Isoindoloindolone derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-09-18 EP disclosed