SCHEMBL17812738

SCHEMBL17812738

CC(C)CCCCCCCCCCCCCCOC(=O)C1(C(=O)OCCCCCCCCCCCCCCC(C)C)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
RARB P10826 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CETP P11597 1/20 0.32
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
NAAA Q02083 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 2/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
SIGMAR1 Q99720 3/20 0.30
ABCB11 O95342 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL17812697 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11
SCHEMBL17812518 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11
SCHEMBL17812818 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11
SCHEMBL17812713 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11
SCHEMBL17812667 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11
SCHEMBL17812773 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11
SCHEMBL17812811 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11
SCHEMBL17812570 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11
SCHEMBL17812567 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11
SCHEMBL17812836 1.00 ESR1 (0.34) ESR1RARBALDH1A1CYP4F2CYP4A11

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-9365715-B2 Thermoplastic elastomer composition and method for the production thereof STYROLUTION EUROPE GMBH (DE) 2016-06-14 US disclosed