SCHEMBL11053174

SCHEMBL11053174

Cc1cc(C(=O)c2ccc(C(=O)c3ccc(O)c(C)c3)cc2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B1 P14061 6/20 0.62
HSD17B2 P37059 6/20 0.62
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL1758239 0.98 HTT (0.61) HTTSMN1; SMN2HSD17B1HSD17B2SLC22A6
SCHEMBL31621156 0.98 HTT (0.61) HTTSMN1; SMN2HSD17B1HSD17B2SLC22A6
SCHEMBL1758781 0.94 HTT (0.75) HTTSMN1; SMN2HSD17B1HSD17B2SLC22A6
SCHEMBL31574429 0.93 HTT (0.57) HTTSMN1; SMN2HSD17B1HSD17B2SLC22A6
SCHEMBL9752047 0.92 SRD5A2 (0.59) HTTSMN1; SMN2HSD17B1HSD17B2SIRT1
SCHEMBL5962849 0.92 HSD17B1 (0.64) HTTSMN1; SMN2HSD17B1HSD17B2LMNA
SCHEMBL3468499 0.90 HTT (0.55) HTTSMN1; SMN2HSD17B1HSD17B2SLC22A6
SCHEMBL15851085 0.90 HSD17B1 (0.58) HTTSMN1; SMN2HSD17B1HSD17B2SIRT1
SCHEMBL31574447 0.90 HTT (0.70) HTTSMN1; SMN2HSD17B1HSD17B2SLC22A6
SCHEMBL31574452 0.90 HTT (0.70) HTTSMN1; SMN2HSD17B1HSD17B2SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026991-B1 AROMATIC POLYESTER AND FILAMENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-21 EP disclosed
US-4276226-A Methyl- and chloro- substituted aromatic diketodiols E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-30 US disclosed
US-4269965-A COMPRISING MONOMERS OF P-HYDROXYBENZOIC ACID, 3,4'-DIHYDROXYBENZOPHENONE OR TEREPHTHALOYLDI(3-METHYL-4-HYDROXYBENZENE, AND TEREPHTHALIC ACID; LUSTER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 US disclosed
EP-0026991-A1 Aromatic polyester and filaments E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-04-15 EP disclosed