SCHEMBL8549207

SCHEMBL8549207

CC(C)CCOC(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
DAO P14920 5/20 0.42
CYP19A1 P11511 1/20 0.41
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
LIG1 P18858 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.37

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
SCHEMBL8549058 0.93 PKM (0.50) PKMMAPK1HSD17B10KMT2AKDM4E
SCHEMBL8550030 0.83 ALDH1A1 (0.51) PKMHSD17B10ALDH1A1HDAC3HDAC4
SCHEMBL8549910 0.81 LMNA (0.53) PKMMAPK1KDM4EALDH1A1HDAC3
SCHEMBL28341164 0.80 HDAC3 (0.42) PKMMAPK1KMT2AALDH1A1HDAC3
SCHEMBL8549821 0.79 TSHR (0.53) MAPK1HSD17B10ALDH1A1HDAC3HDAC4
SCHEMBL5068414 0.78 HDAC3 (0.65) PKMMAPK1KDM4EALDH1A1GAA
SCHEMBL28343702 0.76 MAPT (0.45) PKMMAPK1ALDH1A1HDAC3HDAC4
SCHEMBL8545708 0.76 TSHR (0.55) MAPK1HSD17B10KDM4EALDH1A1MAPT
SCHEMBL8550024 0.75 ALDH1A1 (0.58) HSD17B10KMT2AKDM4EALDH1A1HDAC3
SCHEMBL7951100 0.75 POLB (0.46) PKMMAPK1ALDH1A1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719774-B1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS (JP) 1998-06-03 EP disclosed
EP-0719774-A1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-07-03 EP disclosed
US-5310940-A Sulfiding, cyclization SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1994-05-10 US disclosed
US-5221749-A Reacting a thiophene,2,5-dicarboxylic acid diester with a 2-aminophenol in the presence of an acid catalyst SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-06-22 US disclosed
US-5093504-A PRODUCTION OF THIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS, TETRAHYDROTHIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS AND DIBENZOXAZOLYLTHIOPHENES SUMITOMO SEIKA CHEMICALS, CO., LTD. (JP) 1992-03-03 US disclosed
EP-0387725-A2 Production of thiophene-2,5-dicarboxylic acid diesters and tetrahydrothiophene-2,5-dicarboxylic acid diesters SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1990-09-19 EP disclosed