SCHEMBL20710992

SCHEMBL20710992

CC(C)(C)Oc1ccc(C=O)c(OC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ERN1 O75460 3/20 0.37
KIF11 P52732 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 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
SCHEMBL677115 0.83 KIF11 (0.38) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL3628375 0.81 KIF11 (0.37) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL28526096 0.81 ALDH1A1 (0.44) ALDH1A1TRIM24TYRTRIM33LMNA
SCHEMBL17346659 0.80 ALDH1A1 (0.41) ALDH1A1TRIM24TYRTRIM33LMNA
SCHEMBL4868031 0.80 CA1 (0.41) ALDH1A1TRIM24TYRTRIM33CYP2C19
SCHEMBL3410646 0.77 ALDH1A1 (0.39) ALDH1A1TRIM24TYRTRIM33LMNA
SCHEMBL3824427 0.76 KIF11 (0.43) ALDH1A1CYP1A2CYP2C19KIF11CYP1A1
SCHEMBL260331 0.75 ALDH1A1 (0.47) ALDH1A1TRIM24TYRTRIM33ERN1
SCHEMBL30717263 0.75 ALDH1A1 (0.55) ALDH1A1TRIM24TRIM33LMNACYP1A2
SCHEMBL1132167 0.75 ALDH1A1 (0.55) ALDH1A1TRIM24TRIM33LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190041753-A1 RESIST MULTILAYER FILM-ATTACHED SUBSTRATE AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-07 US disclosed