SCHEMBL17812704

SCHEMBL17812704

CC(C)CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
RARB P10826 1/20 0.37
HSPD1 P10809 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NAAA Q02083 1/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
ACLY P53396 5/20 0.34
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27940436 1.00 ALDH1A1 (0.44) ALDH1A1RARBHSPD1BLMHSPE1
SCHEMBL17812543 1.00 ALDH1A1 (0.44) ALDH1A1RARBHSPD1BLMHSPE1
SCHEMBL1695913 1.00 ALDH1A1 (0.44) ALDH1A1RARBHSPD1BLMHSPE1
SCHEMBL30294086 1.00 ALDH1A1 (0.44) ALDH1A1RARBHSPD1BLMHSPE1
SCHEMBL17812684 1.00 ALDH1A1 (0.44) ALDH1A1RARBHSPD1BLMHSPE1
SCHEMBL17812835 1.00 ALDH1A1 (0.44) ALDH1A1RARBHSPD1BLMHSPE1
SCHEMBL17812604 1.00 ALDH1A1 (0.44) ALDH1A1RARBHSPD1BLMHSPE1
SCHEMBL17812727 1.00 ALDH1A1 (0.44) ALDH1A1RARBHSPD1BLMHSPE1
SCHEMBL599405 1.00 ALDH1A1 (0.44) ALDH1A1RARBHSPD1BLMHSPE1
SCHEMBL28552061 0.95 RARB (0.39) ALDH1A1RARBHSPD1BLMHSPE1

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