SCHEMBL6432284

SCHEMBL6432284

CCCCC(C)C1(C(=O)OCC)CCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSK P43235 2/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL14504414 0.79 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AATMPOLB
SCHEMBL18595261 0.77 ZDHHC7 (0.37) SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL31631362 0.75 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ACYP3A4ATM
SCHEMBL16699711 0.74 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AATMPOLB
SCHEMBL19701698 0.74 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2ATSHRCYP3A4
SCHEMBL3759233 0.74 FAAH (0.42) CA1KMT2A
SCHEMBL2917903 0.73 FAAH (0.44) KMT2A
SCHEMBL11383592 0.73 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AATMPOLB
SCHEMBL12868735 0.71 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AATMPOLB
SCHEMBL1239842 0.71 GPR84 (0.41)

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
EP-1313738-A4 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS IMMUNOGEN INC (US) 2005-01-19 EP disclosed
EP-1313738-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS Immunogen, Inc. (US) 2003-05-28 EP disclosed
WO-2002016368-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS IMMUNOGEN, INC. (US) 2002-02-28 WO disclosed