SCHEMBL11745554

SCHEMBL11745554

COC(=O)C=CCCCCCCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.57
PPARA Q07869 5/20 0.57
MAPT P10636 4/20 0.56
TERT O14746 3/20 0.56
PTPN1 P18031 3/20 0.56
PPARD Q03181 3/20 0.56
F7 P08709 3/20 0.56
F3 P13726 3/20 0.56
BLM P54132 2/20 0.56
HSD17B10 Q99714 2/20 0.56
FABP4 P15090 2/20 0.56
DUSP3 P51452 2/20 0.56
PTPN7 P35236 2/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL28549553 1.00 PPARG (0.57) PPARGPPARAMAPTTERTPTPN1
SCHEMBL3017777 1.00 PPARG (0.57) PPARGPPARAMAPTTERTPTPN1
SCHEMBL17334530 0.92 PPARG (0.48) PPARGPPARAMAPTTERTPTPN1
SCHEMBL29626440 0.88 HCAR2 (0.55) PPARGPPARAMAPTLMNAALDH1A1
SCHEMBL31681514 0.88 HCAR2 (0.55) PPARGPPARAMAPTLMNAALDH1A1
SCHEMBL23647596 0.85 ALDH1A1 (0.65) PPARGPPARAHSD17B10LMNAPOLB
SCHEMBL23073887 0.85 ALDH1A1 (0.65) PPARGPPARAHSD17B10LMNAPOLB
SCHEMBL23777270 0.85 ALDH1A1 (0.65) PPARGPPARAHSD17B10LMNAPOLB
SCHEMBL21489709 0.85 ALDH1A1 (0.65) PPARGPPARAHSD17B10LMNAPOLB
SCHEMBL21489710 0.85 ALDH1A1 (0.65) PPARGPPARAHSD17B10LMNAPOLB

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-4052423-A FROM A VINYLMERCURIC HALIDE, CARBON MONOXIDE AND ALCOHOL IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1977-10-04 US disclosed