SCHEMBL7773448

SCHEMBL7773448

CCCCCCCCCCCCCCC(Br)C(=O)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.57
ZDHHC2 Q9UIJ5 2/20 0.53
LCK P06239 1/20 0.53
PPARD Q03181 1/20 0.53
ZDHHC20 Q5W0Z9 1/20 0.53
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
FAAH O00519 6/20 0.46
ALDH1A1 P00352 2/20 0.45
CNR2 P34972 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL9436169 0.96 ZDHHC2 (0.61) ZDHHC7ZDHHC2LCKPPARDZDHHC20
SCHEMBL27527798 0.94 ZDHHC7 (0.47) ZDHHC7ZDHHC2LCKPPARDZDHHC20
SCHEMBL29163411 0.84 ZDHHC2 (0.49) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL7732099 0.84 TDP1 (0.55) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL3929624 0.84 ZDHHC2 (0.49) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL7734011 0.84 TDP1 (0.55) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL11296486 0.84 ZDHHC2 (0.49) ZDHHC2PRSS1PRSS2PRSS3FAAH
SCHEMBL7970865 0.84 ELANE (0.41) ZDHHC7PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL28487778 0.83 ZDHHC2 (0.42) ZDHHC7ZDHHC2LCKPPARDZDHHC20
SCHEMBL9275820 0.83 ZDHHC7 (0.46) ZDHHC7ZDHHC2LCKPPARDZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587639-B1 PHARMACEUTICAL COMPOSITIONS LIPOXEN LTD (GB) 2001-08-16 EP disclosed
US-5846951-A Pharmaceutical compositions THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 1998-12-08 US disclosed
EP-0587639-A1 PHARMACEUTICAL COMPOSITIONS THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 1994-03-23 EP disclosed
WO-1992022331-A1 PHARMACEUTICAL COMPOSITIONS THE SCHOOL OF PHARMACY (GB) 1992-12-23 WO disclosed