SCHEMBL11156331

SCHEMBL11156331

CCCCCCCC/C=C/CCCCCCC1(C(=O)OC)CO1

nearest known ligand 0.82

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
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 2/20 0.42
BLM P54132 2/20 0.42
HSD17B10 Q99714 2/20 0.42
FABP4 P15090 2/20 0.42
FAAH O00519 2/20 0.42
KMT2A Q03164 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 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
SCHEMBL11156333 1.00 TERT (0.42) TERTPTPN1PPARGPPARDPPARA
SCHEMBL11166645 0.91 ABCB11 (0.44) MAPTLMNAPOLB
SCHEMBL11152597 0.91 ABCB11 (0.44) MAPTLMNAPOLB
Methyl Palmoxirate SCHEMBL243423 0.91 ABCB11 (0.44) MAPTLMNAPOLB
SCHEMBL11469717 0.91 ABCB11 (0.44) MAPTLMNAPOLB
SCHEMBL11157946 0.91 ABCB11 (0.44) MAPTLMNAPOLB
SCHEMBL11158299 0.91 ABCB11 (0.44) MAPTLMNAPOLB
SCHEMBL11156466 0.91 ABCB11 (0.44) MAPTLMNAPOLB
SCHEMBL11154315 0.91 ABCB11 (0.44) MAPTLMNAPOLB
SCHEMBL6662591 0.84 ABCB11 (0.40) MAPTLMNA

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-4370343-A GLYCIDIC OR THIOGLYCIDIC ACID DEPRIVATIVES MCNEILAB, INC. (US) 1983-01-25 US disclosed