SCHEMBL9248385

SCHEMBL9248385

O=C1CCc2ccc(O)c(O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
PBRM1 Q86U86 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 3/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAOA P21397 2/20 0.41
APEX1 P27695 2/20 0.41
RECQL P46063 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
USP2 O75604 1/20 0.41
RAF1 P04049 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL6964106 0.79 PBRM1 (0.41) ACHEPBRM1ALDH1A1MAPTHPGD
SCHEMBL14430381 0.79 PBRM1 (0.41) ACHEPBRM1ALDH1A1MAPTHPGD
SCHEMBL11917771 0.79 PBRM1 (0.41) ACHEPBRM1ALDH1A1MAPTHPGD
SCHEMBL2298063 0.79 PBRM1 (0.41) ACHEPBRM1ALDH1A1MAPTHPGD
SCHEMBL11927529 0.79 TYMS (0.42) ACHEPBRM1ALDH1A1MAPTHPGD
Bromide SCHEMBL2296695 0.78 PBRM1 (0.40) ACHEPBRM1ALDH1A1MAPTHPGD
SCHEMBL13568681 0.76 TXNRD1 (0.50) PBRM1ALDH1A1MAPTHPGDALOX15
SCHEMBL15800519 0.75 KDM4E (0.53) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL668042 0.74 MAPT (0.55) PBRM1ALDH1A1MAPTHPGDALOX15
SCHEMBL4686035 0.74 GPR35 (0.41) PBRM1ALDH1A1MAPTHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457237-A Dihydroxyindanone tyrosine kinase inhibitors PFIZER INC. (US) 1995-10-10 US disclosed
EP-0586479-A1 DIHYDROXYINDANONE TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021641-A1 DIHYDROXYINDANONE TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1992-12-10 WO disclosed