SCHEMBL6058716

SCHEMBL6058716

C=C(CCCCCCCC)C(OP(O)O)(c1ccc(C(C)(C)C)cc1C(C)(C)C)c1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
GHSR Q92847 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
NR5A2 O00482 1/20 0.30
NR5A1 Q13285 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
SCHEMBL9844460 1.00 MEN1 (0.32) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6058552 1.00 MEN1 (0.32) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6058695 1.00 MEN1 (0.32) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL134530 1.00 MEN1 (0.32) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL1578124 0.95 NR5A2 (0.31) NR5A2NR5A1
SCHEMBL5691668 0.92 MEN1 (0.32) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL1578101 0.91 CNR2 (0.36) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL108895 0.86 CES2 (0.33) HDAC3HDAC1HDAC2THRATHRB
SCHEMBL4584744 0.85 GHSR (0.33) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL14988110 0.83 SCN5A (0.33) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2

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-7056963-B2 Polyester resin composition and process for the preparation thereof KANEKA CORPORATION (JP) 2006-06-06 US disclosed