SCHEMBL9007494

SCHEMBL9007494

O=C1CCCC(O)=C1Cc1ccc2c(Br)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 5/20 0.39
SLC9A1 P19634 1/20 0.36
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPD P32754 1/20 0.33
LMNA P02545 2/20 0.33
AKR1B1 P15121 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL9007553 0.85 NQO1 (0.37) NQO1HPDLMNAAKR1B1ALDH1A1
SCHEMBL9007517 0.82 AKR1B1 (0.41) NQO1SLC9A1KDM4EHSD17B10HPD
SCHEMBL9007551 0.79 WDR5 (0.35) NQO1SLC9A1KDM4EHSD17B10HPD
SCHEMBL9007576 0.76 MEN1 (0.32) NQO1SLC9A1ALDH1A1MAPTPOLB
SCHEMBL9007599 0.76 NQO1 (0.30) NQO1HPD
SCHEMBL8829522 0.74 ALOX5 (0.45) NQO1
SCHEMBL12457724 0.73 LMNA (0.48) NQO1KDM4EHSD17B10LMNAALDH1A1
SCHEMBL15352105 0.69 SLC9A1 (0.44) SLC9A1KDM4EAKR1B1TDP1
SCHEMBL7221961 0.69 SLC9A1 (0.44) SLC9A1AKR1B1PKM
SCHEMBL31459979 0.69 SLC9A1 (0.44) SLC9A1AKR1B1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US disclosed