SCHEMBL628806

SCHEMBL628806

COC(=O)c1ccc(CCNCC2CCCCC2)cc1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Hydrochloric Acid SCHEMBL629209 0.99 MEN1 (0.41) MEN1KMT2A
SCHEMBL629652 0.88 FNTA (0.44)
SCHEMBL7869097 0.84 NPC1 (0.56) MEN1KMT2A
SCHEMBL7917853 0.84 ALDH1A1 (0.41)
Decarboxylated Derivative SCHEMBL628807 0.82 FNTA (0.41)
SCHEMBL7870257 0.81 MEN1 (0.47) MEN1KMT2A
Decarboxylated Derivative SCHEMBL629210 0.81 FNTA (0.41)
SCHEMBL631089 0.80 ALDH1A1 (0.52) MEN1KMT2A
SCHEMBL7870317 0.80 FNTA (0.61)
SCHEMBL628805 0.79 BACE1 (0.40)

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-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed