SCHEMBL9702510

SCHEMBL9702510

O=C(O)C(CCC(C(=O)O)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.50
ESR2 Q92731 5/20 0.50
SRC P12931 1/20 0.48
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC7A5 Q01650 1/20 0.44
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.42
CYP2C19 P33261 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PTGS1 P23219 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PTGS2 P35354 1/20 0.42
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 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
SCHEMBL927673 0.90 ESR1 (0.46) ESR1ESR2SRCLMNAHSD17B10
SCHEMBL23174852 0.88 NAALAD2 (0.53) ESR1ESR2SRCLMNAHSD17B10
SCHEMBL633268 0.88 ESR1 (0.49) ESR1ESR2SRCLMNAHSD17B10
SCHEMBL6943616 0.85 LMNA (0.46) ESR1ESR2LMNAHSD17B10CYP2C19
SCHEMBL10428216 0.85 ESR1 (0.50) ESR1ESR2SRCLMNAHSD17B10
SCHEMBL7087165 0.84 ESR1 (0.48) ESR1ESR2SRCLMNAHSD17B10
SCHEMBL9268560 0.83 CYP2C19 (0.50) ESR1ESR2SRCLMNAHSD17B10
SCHEMBL4328325 0.83 CNR1 (0.49) ESR1ESR2SRCLMNAHSD17B10
SCHEMBL26122884 0.83 LMNA (0.47) ESR1ESR2LMNAHSD17B10ALDH1A1
SCHEMBL1118743 0.83 TAAR1 (0.52) ESR1ESR2SRCLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916163-A Novel lipids and nanoparticle compositions thereof 世代生物公司 2023-04-04 CN disclosed
US-5110897-A Food and beverage containers GENERAL ELECTRIC COMPANY (US) 1992-05-05 US disclosed
EP-0406640-A2 Thermoplastic polycarbonate compositions having improved oxygen barrier properties GENERAL ELECTRIC COMPANY (US) 1991-01-09 EP disclosed