SCHEMBL8910153

SCHEMBL8910153

CCOC(=O)c1c(C)c(C(C)=O)c(COC(C)=O)n1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
USP2 O75604 2/20 0.47
HPGD P15428 5/20 0.46
TSHR P16473 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL8910221 0.80 KMT2A (0.81) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL7962373 0.78 KMT2A (0.58) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL11063288 0.73 KMT2A (0.64) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL11363402 0.73 KMT2A (1.00) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL16416876 0.68 KMT2A (0.76) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL16416778 0.68 KMT2A (0.76) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL9695869 0.68 KMT2A (0.53) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL11062786 0.67 KMT2A (0.51) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL23123196 0.66 KMT2A (0.46) KMT2AUSP2L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7962367 0.66 HPGD (0.55) KMT2AHPGDTSHRCYP1A2CYP3A4

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-5679694-A LOW TOXICITY AGAINST NORMAL CELL LINES THE WELLCOME FOUNDATION LTD. (GB) 1997-10-21 US disclosed
EP-0651750-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-10 EP disclosed
WO-1994002483-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 WO disclosed