SCHEMBL29664981

SCHEMBL29664981

C=CC(=O)OCCOc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)n2)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.37
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 2/20 0.37
GPR84 Q9NQS5 1/20 0.37
MAPK1 P28482 1/20 0.36
ATM Q13315 2/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL225454 1.00 THRB (0.45) THRBHPGDPOLBSMN1; SMN2MAOB
SCHEMBL28047262 0.91 THRB (0.45) THRBHPGDPOLBSMN1; SMN2GPR84
SCHEMBL28047260 0.90 THRB (0.47) THRBHPGDPOLBSMN1; SMN2FFAR1
SCHEMBL8517765 0.89 THRB (0.45) THRBHPGDPOLBSMN1; SMN2MAOB
SCHEMBL13897527 0.89 THRB (0.54) THRBPOLBSMN1; SMN2MAPK1KMT2A
SCHEMBL29666025 0.89 THRB (0.45) THRBHPGDPOLBMAOBFFAR1
SCHEMBL819249 0.89 THRB (0.45) THRBHPGDPOLBMAOBFFAR1
SCHEMBL2240459 0.89 THRB (0.56) THRBPOLBSMN1; SMN2FFAR1FFAR4
SCHEMBL29512550 0.89 THRB (0.56) THRBPOLBSMN1; SMN2FFAR1FFAR4
SCHEMBL4980805 0.89 THRB (0.43) THRBHPGDSMN1; SMN2MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001762-B Acrylic resin composition and laminate obtained by laminating the same 株式会社艾迪科 2022-08-09 CN disclosed
CN-110537266-B Battery packaging material, method for producing same, and battery 大日本印刷株式会社 2022-06-17 CN disclosed