SCHEMBL9221102

SCHEMBL9221102

CC(C)(O)C(O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SHBG P04278 1/20 0.37
EPHX1 P07099 3/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31

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
SCHEMBL14443274 0.82 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL14443275 0.82 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL8976097 0.82 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL28922673 0.81 TP53 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL16230728 0.79 TP53 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL16230660 0.79 TP53 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL10104528 0.79 TP53 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL11101108 0.75 SHBG (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL28505213 0.75 TP53 (0.40) TP53KDM4EGMNNLMNAMAPT
SCHEMBL16805015 0.74 UGT2B7 (0.33) TP53KDM4EGMNNLMNAMAPT

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-5426194-A Isolation and structure of Halistatin 1 ARIZONA BOARD OF REGENTS, A BODY CORPORATE ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1995-06-20 US disclosed
US-5352804-A Anticancer drugs ARIZONA BOARD OF REGENTS, A BODY CORPORATE, ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1994-10-04 US disclosed
EP-0608110-A1 Isolation and structure of halistatin 2, and its use as an anti-tumor agent ARIZONA BOARD OF REGENTS (US) 1994-07-27 EP disclosed
EP-0608108-A1 Isolation and structure of halistatin 1, and its use as an anti-tumor agent ARIZONA BOARD OF REGENTS (US) 1994-07-27 EP disclosed