SCHEMBL17812591

SCHEMBL17812591

CC(C)CCCCCCCCCCCOC(=O)C1(C(=O)OCCCCCCCCCCCC(C)C)CCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
RARB P10826 1/20 0.34
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
CDC25A P30304 2/20 0.31
CDC25B P30305 2/20 0.31
NAAA Q02083 1/20 0.31
LMNA P02545 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
ALDH1A1 P00352 1/20 0.30
BLM P54132 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
SCHEMBL17812707 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8
SCHEMBL17812462 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8
SCHEMBL17812473 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8
SCHEMBL17812614 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8
SCHEMBL17812552 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8
SCHEMBL17812772 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8
SCHEMBL17812479 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8
SCHEMBL17812561 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8
SCHEMBL17812679 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8
SCHEMBL17812726 1.00 ESR1 (0.34) ESR1RARBKDM4CKDM4APHF8

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