SCHEMBL7755331

SCHEMBL7755331

CCCCCCCCCCCCCCCC(=O)NCCC(=O)Nc1ccc(NC(=O)Cc2ccc(C)cc2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
ABCB1 P08183 1/20 0.47

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
SCHEMBL6545613 0.96 ABCB1 (0.47) ALDH1A1LMNAABCB1
SCHEMBL6545867 0.95 ABCB1 (0.50) ALDH1A1ABCB1
SCHEMBL6546452 0.95 ABCB1 (0.52) ALDH1A1ABCB1
SCHEMBL6545874 0.92 ABCB1 (0.46) ABCB1
SCHEMBL2226912 0.85 ABCB1 (0.58) ABCB1
SCHEMBL12919766 0.74 ALDH1A1 (0.62) ALDH1A1LMNA
SCHEMBL6546175 0.74 PKM (0.55) ALDH1A1LMNA
SCHEMBL7051490 0.72 ABCB1 (0.44) ABCB1
SCHEMBL7051491 0.72 ABCB1 (0.44) ABCB1
SCHEMBL18655903 0.71 LTB4R (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP disclosed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO disclosed