SCHEMBL7966819

SCHEMBL7966819

O=C1OC(c2ccc(-c3ccc(C4CCCCC4)cc3)cc2)C(O)=C1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOTUM Q6P988 3/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
ESR2 Q92731 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ITK Q08881 1/20 0.37
DHODH Q02127 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
GALR1 P47211 1/20 0.37
DEGS1 O15121 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL6931344 0.81 ALDH1A1 (0.45) GAAMAPTKMT2AALDH1A1LMNA
SCHEMBL6930001 0.81 ALDH1A1 (0.45) GAAMAPTKMT2AALDH1A1LMNA
SCHEMBL6933633 0.78 ALDH1A1 (0.43) GAAMAPTKMT2AALDH1A1LMNA
SCHEMBL6929228 0.78 ALDH1A1 (0.47) MAPTKMT2AALDH1A1LMNARAB9A
SCHEMBL6026843 0.75 ME2 (0.46) GAAMAPTKMT2AALDH1A1LMNA
SCHEMBL7956394 0.75 EGFR (0.46) MAPTKMT2ATDP1NOTUMALDH1A1
SCHEMBL6025954 0.73 ALDH1A1 (0.46) MAPTKMT2ANOTUMALDH1A1LMNA
SCHEMBL6933173 0.73 AHR (0.41) GAAMAPTKMT2ANOTUMALDH1A1
SCHEMBL7591786 0.73 AHR (0.41) GAAMAPTKMT2ANOTUMALDH1A1
SCHEMBL7565537 0.73 KDM4E (0.55) GAAMAPTKMT2ATDP1ALDH1A1

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed