SCHEMBL8910221

SCHEMBL8910221

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

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.81
USP2 O75604 1/20 0.66
TSHR P16473 4/20 0.62
HPGD P15428 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL11363402 0.89 KMT2A (1.00) KMT2AUSP2TSHRHPGDCYP1A2
SCHEMBL11354316 0.86 KMT2A (0.81) KMT2AUSP2TSHRHPGDCYP1A2
SCHEMBL16416876 0.83 KMT2A (0.76) KMT2AUSP2TSHRHPGDCYP1A2
SCHEMBL16416778 0.83 KMT2A (0.76) KMT2AUSP2TSHRHPGDCYP1A2
SCHEMBL26542538 0.81 KMT2A (0.71) KMT2AUSP2TSHRHPGDCYP1A2
SCHEMBL7962373 0.81 KMT2A (0.58) KMT2AUSP2TSHRHPGDCYP1A2
SCHEMBL257221 0.80 KMT2A (0.69) KMT2AUSP2TSHRHPGDCYP1A2
SCHEMBL8910153 0.80 KMT2A (0.56) KMT2AUSP2TSHRHPGDCYP1A2
SCHEMBL8911150 0.79 RAB9A (0.57) KMT2AUSP2TSHRHPGDCYP1A2
SCHEMBL2731170 0.77 KMT2A (0.67) KMT2AUSP2TSHRHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456190-B2 Compositions useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-25 US disclosed
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