SCHEMBL8545708

SCHEMBL8545708

CCCCCCCCOC(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ESR1 P03372 3/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP2 P08253 1/20 0.46

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
SCHEMBL8549821 0.94 TSHR (0.53) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL8545705 0.94 ALDH1A1 (0.62) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL29224869 0.94 ALDH1A1 (0.62) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL8549910 0.87 LMNA (0.53) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL8549818 0.87 TSHR (0.59) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL8475926 0.83 ALDH1A1 (0.54) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7951136 0.82 TDP1 (0.56) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7947742 0.82 TDP1 (0.56) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7947700 0.82 TDP1 (0.56) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL7951144 0.82 TDP1 (0.56) TSHRALDH1A1LMNATP53CYP3A4

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