SCHEMBL7911935

SCHEMBL7911935

CC(/C=C/CCCCCC/C=C/C(C)CC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.42
PTPN1 P18031 3/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
TOP1 P11387 3/20 0.42
MAPT P10636 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL7901849 1.00 TERT (0.42) TERTPTPN1PPARGPPARDPPARA
SCHEMBL31672982 0.90 PPARG (0.52) TERTPTPN1PPARGPPARDPPARA
SCHEMBL8861361 0.90 PPARG (0.52) TERTPTPN1PPARGPPARDPPARA
SCHEMBL8861363 0.90 PPARG (0.52) TERTPTPN1PPARGPPARDPPARA
SCHEMBL1705893 0.88 F7 (0.48) TERTPTPN1PPARGPPARDPPARA
SCHEMBL5981223 0.88 F7 (0.48) TERTPTPN1PPARGPPARDPPARA
SCHEMBL1705896 0.88 F7 (0.48) TERTPTPN1PPARGPPARDPPARA
SCHEMBL23829791 0.83 HDAC2 (0.40) TERTPTPN1PPARGPPARDPPARA
SCHEMBL23829790 0.83 HDAC2 (0.40) TERTPTPN1PPARGPPARDPPARA
SCHEMBL23922605 0.82 HDAC2 (0.39) PGRTDP1HDAC2

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
US-6200254-B1 PRACTICAL SYNTHETIC ROUTES TO CYCLOALKADIENONES AND SATURATED AND MONO-UNSATURATED MACROCYCLIC KETONES WITH CLAISEN REARRANGEMENT OF BIS ALLYL ALCOHOLS, RING CYCLIZATION REACTION, AND SUBSEQUENT REDUCTION OR DECARBOALKOXYLATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-03-13 US disclosed