SCHEMBL8080249

SCHEMBL8080249

CCCCCCOc1ccc(OC(C)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.65
TSHR P16473 1/20 0.65
PLA2G4B P0C869 1/20 0.63
NR5A1 Q13285 1/20 0.62
NPC1 O15118 2/20 0.61
LMNA P02545 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RARB P10826 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
FAAH O00519 6/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL8081503 1.00 TP53 (0.65) TP53TSHRPLA2G4BNR5A1NPC1
SCHEMBL8081129 1.00 TP53 (0.65) TP53TSHRPLA2G4BNR5A1NPC1
SCHEMBL8081520 1.00 TP53 (0.65) TP53TSHRPLA2G4BNR5A1NPC1
SCHEMBL8072237 1.00 TP53 (0.65) TP53TSHRPLA2G4BNR5A1NPC1
SCHEMBL2406965 0.98 TP53 (0.62) TP53TSHRPLA2G4BNR5A1NPC1
SCHEMBL8350895 0.94 TP53 (0.56) TP53TSHRPLA2G4BNR5A1NPC1
SCHEMBL14097166 0.92 RARB (0.57) TP53TSHRPLA2G4BNR5A1NPC1
SCHEMBL9650326 0.91 NPC1 (0.72) TP53TSHRPLA2G4BNPC1LMNA
SCHEMBL9650353 0.91 NR5A1 (0.57) TP53TSHRPLA2G4BNR5A1NPC1
SCHEMBL9736594 0.91 NPC1 (0.72) TP53TSHRPLA2G4BNPC1LMNA

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
CN-114805038-B Synthesis method of poly (p-phenylene ethylene) photoelectric material intermediate 荆州市天翼精细化工开发有限公司 2023-11-03 CN disclosed
CN-114805038-A Synthetic method of poly (p-phenylene ethylene) photoelectric material intermediate 荆州市天翼精细化工开发有限公司 2022-07-29 CN disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed