SCHEMBL8382020

SCHEMBL8382020

O=C(O)CCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.74
CTSG P08311 8/20 0.74
FTO Q9C0B1 2/20 0.58
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 2/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAOA P21397 2/20 0.54
MAOB P27338 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
TTR P02766 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
BCHE P06276 1/20 0.48

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
SCHEMBL8382640 0.85 ELANE (0.78) ELANECTSGFTOALDH1A1LMNA
SCHEMBL8387055 0.85 ELANE (0.71) ELANECTSGFTOALDH1A1LMNA
SCHEMBL29109693 0.85 ELANE (0.68) ELANECTSGFTOALDH1A1LMNA
SCHEMBL8386350 0.81 ELANE (0.71) ELANECTSGFTOALDH1A1LMNA
SCHEMBL8382534 0.80 MEN1 (0.58) ELANECTSGALDH1A1MAPTALOX15
SCHEMBL30293178 0.79 ELANE (0.69) ELANECTSGFTOALDH1A1LMNA
SCHEMBL8386993 0.78 MEN1 (0.55) ELANECTSGALDH1A1MAPTALOX15
SCHEMBL8387182 0.77 MAPT (0.54) ELANECTSGALDH1A1MAPTALOX15
SCHEMBL30455815 0.77 MEN1 (0.45) ELANECTSGALDH1A1LMNASMN1; SMN2
SCHEMBL16795917 0.76 IAPP (0.61) SMN1; SMN2MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922891-A ANTI-INFLAMMATORY AGENTS WHICH INHIBIT LIPOXYGENASE PATHWAYS AND THERFORE PROLIFERATIVE ACTIVITY OF PRODUCTS OF THE PATHWAYS; SUPPRESSION OF IRON-DEPENDENT GENERATION OF OXYGEN FREE RADICALS, TREATMENT OF PSORIASIS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1999-07-13 US disclosed