SCHEMBL8639768

SCHEMBL8639768

CCCN(CCCN(C/C=C/CN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.52
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
DRD2 P14416 3/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA7 P43166 1/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
EPHX1 P07099 1/20 0.35
HTT P42858 1/20 0.35
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8639772 1.00 CA14 (0.52) CA14TDP1MEN1KMT2AGAA
SCHEMBL8640276 0.95 CA14 (0.52) CA14TDP1MEN1KMT2AGAA
SCHEMBL8640270 0.95 CA14 (0.52) CA14TDP1MEN1KMT2AGAA
SCHEMBL8641808 0.92 CA14 (0.56) CA14TDP1MEN1KMT2AGAA
SCHEMBL8641799 0.92 CA14 (0.56) CA14TDP1MEN1KMT2AGAA
SCHEMBL8638135 0.91 CA14 (0.50) CA14TDP1MEN1KMT2AGAA
SCHEMBL8638124 0.91 CA14 (0.50) CA14TDP1MEN1KMT2AGAA
SCHEMBL18950461 0.90 CA14 (0.63) CA14TDP1MEN1KMT2AGAA
SCHEMBL8640041 0.88 CA14 (0.46) CA14CA12CA1CA7CA2
SCHEMBL8640034 0.88 CA14 (0.46) CA14CA12CA1CA7CA2

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
EP-0686143-B1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA GEIGY AG (CH) 1998-08-12 EP disclosed
US-5627215-A Unsaturate amino compounds for use as anticancer and antiprotozoic agent CIBA-GEIGY CORPORATION (US) 1997-05-06 US disclosed
EP-0686143-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT Novartis AG (CH) 1995-12-13 EP disclosed
WO-1995018091-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA-GEIGY AG (CH) 1995-07-06 WO disclosed