SCHEMBL20718657

SCHEMBL20718657

CC(C)c1ccc(OCC(=O)OC(C)(C)C)c(OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.48
ACHE P22303 8/20 0.48
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TYR P14679 2/20 0.40

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
SCHEMBL14624903 0.83 BCHE (0.55) BCHEACHENPC1GAARAB9A
SCHEMBL9772363 0.80 RAB9A (0.52) NPC1RAB9AKDM4EMEN1ALDH1A1
SCHEMBL8770542 0.79 ALDH1A1 (0.45) GAAHPGDKDM4EMEN1ALDH1A1
SCHEMBL20718392 0.78 ACLY (0.39) HPGDPOLBMAPTCYP2C9CYP2C19
SCHEMBL12305553 0.78 LMNA (0.49) GAAHPGDKDM4EMEN1ALDH1A1
SCHEMBL7284623 0.78 TSHR (0.51) GAARAB9AHPGDKDM4EMEN1
SCHEMBL22656552 0.77 POLB (0.50) L3MBTL1HPGDKDM4EMEN1ALDH1A1
SCHEMBL29991438 0.77 ALDH1A1 (0.59) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL7834622 0.77 ALDH1A1 (0.59) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL8195658 0.75 ALDH1A1 (0.45) NPC1RAB9AHPGDKDM4EMEN1

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
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