SCHEMBL4551744

SCHEMBL4551744

CCCCCC/C=C/CCCCCC(CCCCC)NC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.46
PTPN1 P18031 3/20 0.46
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.46
BLM P54132 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FABP4 P15090 2/20 0.46
FAAH O00519 2/20 0.46
KMT2A Q03164 2/20 0.46
TOP1 P11387 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL4551745 1.00 TERT (0.46) TERTPTPN1PPARGPPARDPPARA
SCHEMBL15700832 0.90 EPHX1 (0.52) PPARDMAPTFAAHKMT2AMEN1
SCHEMBL5694900 0.88 FAAH (0.51) TERTPTPN1PPARGPPARDPPARA
SCHEMBL3767446 0.86 ALOX15 (0.47) FAAHALOX15SLC6A5
SCHEMBL3767450 0.86 ALOX15 (0.47) FAAHALOX15SLC6A5
SCHEMBL1941195 0.85 CTSK (0.46) CYP1A2MAPTCYP2C19CYP2C9TP53
SCHEMBL1941197 0.85 CTSK (0.46) CYP1A2MAPTCYP2C19CYP2C9TP53
SCHEMBL4758572 0.83 TERT (0.53) TERTPTPN1PPARGPPARDPPARA
SCHEMBL4758573 0.83 TERT (0.53) TERTPTPN1PPARGPPARDPPARA
SCHEMBL28124095 0.83 ZDHHC7 (0.49) PPARDMAPTFAAHKMT2AALOX15

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
EP-1629000-B1 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-02-18 EP disclosed