SCHEMBL4592994

SCHEMBL4592994

C/C(=C\CN[C@@H](CS)C(=O)O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
MMP12 P39900 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
MME P08473 9/20 0.42
ICMT O60725 1/20 0.42
ACE P12821 9/20 0.41
ACE2 Q9BYF1 8/20 0.41
CPA1 P15085 7/20 0.41
FFAR4 Q5NUL3 1/20 0.40
HDAC2 Q92769 1/20 0.39

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
SCHEMBL4593507 0.85 ICMT (0.51) FFAR1MMP12TRPV1MMEICMT
SCHEMBL5505220 0.74 MME (0.49) FFAR1MMEACEACE2CPA1
SCHEMBL5808516 0.73 FFAR1 (0.58) FFAR1MMP12FFAR4HDAC2
SCHEMBL11856516 0.73 FNTA (0.51)
SCHEMBL3863272 0.73 FNTA (0.51)
SCHEMBL3860439 0.73 FNTA (0.51)
SCHEMBL3863270 0.73 FNTA (0.51)
SCHEMBL5439940 0.73 ICMT (0.75) ICMTACE
SCHEMBL14596271 0.73 ICMT (0.75) ICMTACE
SCHEMBL2813151 0.72 FFAR1 (0.53) FFAR1MMP12TRPV1FFAR4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613585-A4 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE PURDUE RESEARCH FOUNDATION (US) 2008-07-23 EP disclosed
EP-1613585-A2 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE PURDUE RESEARCH FOUNDATION (US) 2006-01-11 EP disclosed
WO-2004087064-A2 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER BASED UPON INHIBITORS OF ISOPRENYLCYSTEINE METHYLTRANSFERASE PURDUE RESEARCH FOUNDATION (US) 2004-10-14 WO disclosed