SCHEMBL8661909

SCHEMBL8661909

O=C(O)C=CC(=O)OCCC(O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 13/20 0.59
ATM Q13315 1/20 0.42
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL27550205 1.00 HCAR2 (0.59) HCAR2ATMTSHRTP53EGLN1
SCHEMBL25422020 1.00 HCAR2 (0.59) HCAR2ATMTSHRTP53EGLN1
SCHEMBL8661899 0.91 ATM (0.48) HCAR2ATMTSHRTP53LMNA
SCHEMBL2488159 0.91 ATM (0.48) HCAR2ATMTSHRTP53LMNA
SCHEMBL10396418 0.88 HCAR2 (0.61) HCAR2ATMTSHRTP53EGLN1
SCHEMBL2812266 0.84 HCAR2 (0.60) HCAR2ATMTSHRTP53EGLN1
SCHEMBL2812265 0.84 HCAR2 (0.60) HCAR2ATMTSHRTP53EGLN1
SCHEMBL29185581 0.84 HCAR2 (0.55) HCAR2ATMTSHRTP53EGLN1
SCHEMBL2814903 0.84 HCAR2 (0.60) HCAR2ATMTSHRTP53EGLN1
SCHEMBL28635181 0.82 HCAR2 (0.53) HCAR2ATMTSHRTP53EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5733951-A ESTER INTERCHANGE OF BIS/HYDROXYPROPYL/ FUMARATE WM. MARSH RICE UNIVERSITY 1998-03-31 US disclosed
WO-1995029710-A1 POLY(PROPYLENE FUMARATE) RICE UNIVERSITY (US) 1995-11-09 WO disclosed
US-4956421-A COPOLYMERIZATION OF UNSATURATED ACIDS WITH ALKYLENE OXIDES IN THE PRESENCE OF A THIOETHER OR MERCAPTAN CATALYST BASF AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
US-4925905-A DETERGENT ADDITIVES, MOLECULAR WEIGHT CONTROL BASF AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
US-4814102-A Detergents containing oxyalkylated, carboxyl-containing polymers BASF AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed