SCHEMBL9155251

SCHEMBL9155251

COc1ccc(OCCO)c(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
RAB9A P51151 1/20 0.56
ERN1 O75460 7/20 0.56
ALDH1A1 P00352 5/20 0.53
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
TUBB1 Q9H4B7 2/20 0.50
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
FDPS P14324 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BACE1 P56817 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL5882846 0.89 ALDH1A1 (0.65) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL1808738 0.87 KDM4E (0.53) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL28676135 0.85 ALDH1A1 (0.54) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL27500190 0.85 KDM4E (0.58) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL16851803 0.85 BACE1 (0.46) KDM4ERAB9AERN1ALDH1A1TUBB1
SCHEMBL20488634 0.83 KDM4E (0.59) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL3221472 0.82 BACE1 (0.58) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL2560931 0.82 KDM4E (0.55) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL14448836 0.81 KDM4E (0.51) KDM4ERAB9AERN1ALDH1A1TRIM24
SCHEMBL5882010 0.81 KDM4E (0.64) KDM4ERAB9AERN1ALDH1A1TRIM24

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
US-5385922-A Cardiovascular and gastrointestinal disorders; antiischemic and cardiotonic agents CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-31 US disclosed
EP-0547104-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-06-23 EP disclosed
WO-1992004337-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-03-19 WO disclosed
US-4778818-A VISION AND SKIN DISORDERS MERCK & CO., INC. (US) 1988-10-18 US disclosed
US-4686235-A TOPICAL MERCK & CO., INC. (US) 1987-08-11 US disclosed
US-4053415-A UNSATURATED POLYESTER ETHER HAVING A PHOTOCROSSLINKABLE MOIETY FUJI PHOTO FILM CO., LTD. (JA) 1977-10-11 US disclosed