SCHEMBL4758573

SCHEMBL4758573

CCCCCCC=CCCCCCC(CCCCC)NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.53
PTPN1 P18031 3/20 0.53
PPARG P37231 3/20 0.53
PPARD Q03181 3/20 0.53
PPARA Q07869 3/20 0.53
TOP1 P11387 3/20 0.53
MAPT P10636 2/20 0.53
BLM P54132 2/20 0.53
HSD17B10 Q99714 2/20 0.53
FABP4 P15090 2/20 0.53
FAAH O00519 2/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
APEX1 P27695 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL4758572 1.00 TERT (0.53) TERTPTPN1PPARGPPARDPPARA
SCHEMBL21373200 0.95 ALDH1A1 (0.57) PPARGPPARDPPARAMAPTBLM
SCHEMBL21373201 0.95 ALDH1A1 (0.57) PPARGPPARDPPARAMAPTBLM
SCHEMBL20877099 0.95 ALDH1A1 (0.57) PPARGPPARDPPARAMAPTBLM
SCHEMBL16323618 0.92 FASN (0.54) PPARGFAAHKMT2A
SCHEMBL16323616 0.92 FASN (0.54) PPARGFAAHKMT2A
SCHEMBL16323324 0.92 FASN (0.54) PPARGFAAHKMT2A
SCHEMBL16323325 0.92 FASN (0.54) PPARGFAAHKMT2A
SCHEMBL20835136 0.91 PPARG (0.49) TERTPTPN1PPARGPPARDPPARA
SCHEMBL16323872 0.91 FASN (0.53) PPARGFAAHKMT2A

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-1945641-A1 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2008-07-23 EP disclosed
WO-2007044933-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 WO disclosed