SCHEMBL8590100

SCHEMBL8590100

CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(c1ccccc1)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRAS P01112 12/20 0.59
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
LTA4H P09960 1/20 0.45
MME P08473 1/20 0.44
ECE1 P42892 1/20 0.44

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
SCHEMBL6887273 1.00 HRAS (0.59) HRASFNTAFNTBLTA4HMME
SCHEMBL6888473 0.97 HRAS (0.57) HRASFNTAFNTB
SCHEMBL8590786 0.91 HRAS (0.55) HRASFNTAFNTBLTA4HMME
SCHEMBL6891481 0.91 HRAS (0.55) HRASFNTAFNTBLTA4HMME
SCHEMBL6888486 0.88 HRAS (0.72) HRASFNTAFNTBLTA4HMME
SCHEMBL6888575 0.87 HRAS (0.64) HRASFNTAFNTBLTA4HMME
SCHEMBL6888618 0.86 HRAS (0.73) HRASFNTAFNTBLTA4HMME
SCHEMBL6887268 0.83 HRAS (0.73) HRASFNTAFNTBLTA4HMME
SCHEMBL8590531 0.83 HRAS (0.63) HRASFNTAFNTBLTA4HMME
SCHEMBL6888472 0.82 HRAS (0.73) HRASFNTAFNTBLTA4HMME

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
WO-1998046625-A1 DIPEPTIDE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-10-22 WO claimed