SCHEMBL11561707

SCHEMBL11561707

O=C(O)c1cc(C2CCCCC2)c2ccc(C3CCCCC3)cc2c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.58
KMO O15229 1/20 0.46
DHODH Q02127 1/20 0.43
TBK1 Q9UHD2 5/20 0.43
IKBKE Q14164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SERPINE1 P05121 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PRMT5 O14744 1/20 0.39

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
SCHEMBL11553453 0.84 HSD17B10 (0.54) ACMSDKMODHODHKDM4EKMT2A
SCHEMBL11248496 0.80 ACMSD (0.61) ACMSDKMODHODHTBK1IKBKE
SCHEMBL2533444 0.77 ACMSD (0.61) ACMSDKMODHODHKDM4EKMT2A
SCHEMBL7955284 0.76 ACMSD (0.59) ACMSDKMODHODHKDM4EKMT2A
SCHEMBL9251164 0.76 ACMSD (0.56) ACMSDKMODHODHKDM4EKMT2A
SCHEMBL11820122 0.76 ACMSD (0.56) ACMSDKMODHODHTBK1IKBKE
SCHEMBL11819344 0.76 ACMSD (0.56) ACMSDKMODHODHTBK1IKBKE
SCHEMBL11816217 0.76 ACMSD (0.56) ACMSDKMODHODHTBK1IKBKE
SCHEMBL11814299 0.76 ACMSD (0.56) ACMSDKMODHODHTBK1IKBKE
SCHEMBL11773551 0.76 KDM4E (0.51) ACMSDKMODHODHKDM4EKMT2A

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
US-4134847-A HOMOGENIZING AN AROMATIC CARBOXYLIC ACID-POLYMER-METAL CARBONATE OR OXIDE MELT KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1979-01-16 US disclosed
US-4046941-A PRESSURE SENSITIVE COPYING SANKO CHEMICAL COMPANY LTD. (JA) 1977-09-06 US disclosed