SCHEMBL4557973

SCHEMBL4557973

CCCCCC/C=C(/C(C)=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.50
TERT O14746 3/20 0.40
PTPN1 P18031 3/20 0.40
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C19 P33261 2/20 0.40
BLM P54132 2/20 0.40
HSD17B10 Q99714 2/20 0.40
FABP4 P15090 2/20 0.40
FAAH O00519 2/20 0.40
KMT2A Q03164 2/20 0.40
TOP1 P11387 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4469344 1.00 EP300 (0.50) EP300TERTPTPN1PPARGPPARD
SCHEMBL12276568 0.92 ALDH1A1 (0.40) EP300TERTCYP1A2MAPTCYP2C19
SCHEMBL8850177 0.85 EP300 (0.60) EP300TERTPTPN1PPARGPPARD
SCHEMBL8849620 0.85 EP300 (0.60) EP300TERTPTPN1PPARGPPARD
SCHEMBL5083255 0.85 EP300 (0.60) EP300TERTPTPN1PPARGPPARD
SCHEMBL15281927 0.83 EP300 (0.48) EP300TERTPTPN1PPARGPPARD
SCHEMBL5083310 0.82 EP300 (0.57) EP300TERTPTPN1PPARGPPARD
SCHEMBL27908572 0.80 EP300 (0.46) EP300CYP1A2MAPTCYP2C19BLM
SCHEMBL27908566 0.79 FAAH (0.51) EP300TERTPTPN1PPARGPPARD
SCHEMBL27908560 0.79 EP300 (0.44) EP300TERTPTPN1PPARGPPARD

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-1714977-B1 Synthesis of cyclosporin analogs ISOTECHNIKA INC (CA) 2009-03-11 EP claimed