SCHEMBL7798853

SCHEMBL7798853

O=C(OC1(CO)CCCCC1)c1ccc(C(=O)OC2(CO)CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7196430 0.84 SMN1; SMN2 (0.41) RAB9ALMNANPC1HTTSMN1; SMN2
SCHEMBL374008 0.81 LMNA (0.47) LMNASMN1; SMN2KMT2AGAATDP1
SCHEMBL87785 0.80 KMT2A (0.33) RAB9ASMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL24306003 0.78 TDP1 (0.44) RAB9ALMNANPC1HTTSMN1; SMN2
SCHEMBL4580949 0.78 CTSK (0.49) RAB9ALMNANPC1HTTSMN1; SMN2
SCHEMBL23539213 0.77 CRBN (0.44) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL9618428 0.76 LMNA (0.45) LMNASMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL13131195 0.75 SMN1; SMN2 (0.44) RAB9ALMNANPC1SMN1; SMN2NPSR1
SCHEMBL4580951 0.75 CTSK (0.46) LMNAHTTSMN1; SMN2NPSR1MEN1
SCHEMBL23293574 0.75 CNR2 (0.35) CYP19A1

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
EP-0934323-B1 SOLUBLE MONO-ALKYL STANNOIC ACID CATALYST AND ITS USE IN PREPARING HIGH MOLECULAR WEIGHT POLYESTERS DU PONT (US) 2001-12-12 EP disclosed
US-5599900-A Polyesters production process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-04 US disclosed