SCHEMBL8921597

SCHEMBL8921597

CC(CCN(CCCCNC(=O)C(=O)NCCCCCCCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.41
APP P05067 2/20 0.39
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
AKT1 P31749 1/20 0.37
PTGES O14684 1/20 0.37

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
SCHEMBL8921737 1.00 CTSK (0.41) CTSKAPPMAPTCYP1A2CYP2C9
SCHEMBL8921588 1.00 CTSK (0.41) CTSKAPPMAPTCYP1A2CYP2C9
SCHEMBL8921748 1.00 CTSK (0.41) CTSKAPPMAPTCYP1A2CYP2C9
SCHEMBL8920849 0.94 APP (0.39) CTSKAPPMAPTMEN1KMT2A
SCHEMBL8921535 0.94 APP (0.39) CTSKAPPMAPTMEN1KMT2A
SCHEMBL8920834 0.94 APP (0.39) CTSKAPPMAPTMEN1KMT2A
SCHEMBL8921550 0.94 APP (0.39) CTSKAPPMAPTMEN1KMT2A
SCHEMBL8921553 0.94 APP (0.39) CTSKAPPMAPTMEN1KMT2A
SCHEMBL8923113 0.92 APP (0.37) CTSKAPPMAPTMEN1KMT2A
SCHEMBL8921779 0.92 APP (0.37) CTSKAPPMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US disclosed