SCHEMBL5873269

SCHEMBL5873269

O=C(O)/C=C\C(=O)OCOC(=O)/C=C\C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 14/20 0.65
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.50
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GABRR1 P24046 2/20 0.36
GABRR2 P28476 2/20 0.36
BLM P54132 2/20 0.36
GABRR3 A8MPY1 1/20 0.36
LMNA P02545 1/20 0.36
APEX1 P27695 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL13524059 1.00 HCAR2 (0.65) HCAR2TSHRTP53EGLN1EGLN3
Butane SCHEMBL9548193 0.91 HCAR2 (0.69) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL10991546 0.89 HCAR2 (0.59) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL16622121 0.89 HCAR2 (0.59) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL10991550 0.89 HCAR2 (0.59) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL24045655 0.89 HCAR2 (0.54) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL10394953 0.85 HCAR2 (0.61) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL26367055 0.85 HCAR2 (0.61) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL10394955 0.85 HCAR2 (0.61) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL18068134 0.85 HCAR2 (0.55) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115676-B2 Adhesive compositions for bonding passive substrates HENKEL CORPORATION (US) 2006-10-03 US claimed
US-20030217808-A1 Adhesive compositions for bonding passive substrates Henkel IP & Holding GmbH (DE) 2003-11-27 US claimed
US-7115676-B2 Adhesive compositions for bonding passive substrates HENKEL CORPORATION (US) 2006-10-03 US disclosed
US-20030217808-A1 Adhesive compositions for bonding passive substrates Henkel IP & Holding GmbH (DE) 2003-11-27 US disclosed
EP-1285037-A2 ADHESIVE COMPOSITIONS FOR BONDING PASSIVE SUBSTRATES SUCH AS MAGNESIUM ALLOYS Henkel Loctite Corporation (US) 2003-02-26 EP disclosed
WO-2001088050-A2 ADHESIVE COMPOSITIONS FOR BONDING PASSIVE SUBSTRATES SUCH AS MAGNESIUM ALLOYS HENKEL LOCTITE CORPORATION (US) 2001-11-22 WO disclosed