SCHEMBL7834622

SCHEMBL7834622

CC(C)(C)OC(=O)COc1ccc(C=O)cc1OCC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.51
FDPS P14324 1/20 0.49
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
TACR2 P21452 1/20 0.43
CYP2C9 P11712 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL29991438 1.00 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2KDM4EFDPS
SCHEMBL7381124 0.93 POLB (0.67) ALDH1A1POLBSMN1; SMN2KDM4EFDPS
Protocatechualdehyde SCHEMBL8407876 0.92 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2KDM4EFDPS
SCHEMBL26691696 0.89 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2KDM4EFDPS
SCHEMBL14188782 0.89 POLB (0.48) ALDH1A1POLBSMN1; SMN2KDM4ETSHR
SCHEMBL528365 0.89 POLB (0.48) ALDH1A1POLBSMN1; SMN2KDM4EFDPS
SCHEMBL988409 0.87 POLB (0.47) ALDH1A1POLBSMN1; SMN2KDM4ENPSR1
SCHEMBL16741108 0.87 POLB (0.47) ALDH1A1POLBSMN1; SMN2KDM4EMAPT
SCHEMBL8195658 0.87 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2KDM4ENPSR1
SCHEMBL7831729 0.86 TRPA1 (0.53) ALDH1A1POLBSMN1; SMN2KDM4EFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11042090-B2 Composition for forming organic film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-06-22 US disclosed
US-11042090-B2 Composition for forming organic film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-06-22 US disclosed
US-20190041752-A1 COMPOSITION FOR FORMING ORGANIC FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-07 US disclosed
US-20190041752-A1 COMPOSITION FOR FORMING ORGANIC FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-07 US disclosed
US-20190041753-A1 RESIST MULTILAYER FILM-ATTACHED SUBSTRATE AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-07 US disclosed
US-20190041753-A1 RESIST MULTILAYER FILM-ATTACHED SUBSTRATE AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-07 US disclosed
EP-0738705-B1 GAMMA-DIKETONE COMPOUND HAVING PLATELET AGGREGATION INHIBITING EFFECT MEIJI SEIKA CO (JP) 2001-05-09 EP disclosed
US-5760053-A γ-Diketone compounds with inhibitory activity against platelet aggregation MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-06-02 US disclosed
EP-0738705-A1 GAMMA-DIKETONE COMPOUND HAVING PLATELET AGGREGATION INHIBITING EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-10-23 EP disclosed