SCHEMBL8656019

SCHEMBL8656019

OCCOCCOc1ccc(CCCc2ccc(OCCOCCO)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.77
MEN1 O00255 1/20 0.77
USP2 O75604 1/20 0.77
LMNA P02545 1/20 0.77
CYP3A4 P08684 1/20 0.77
MAPK1 P28482 1/20 0.77
CASP1 P29466 1/20 0.77
KMT2A Q03164 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
SLCO1B3 Q9NPD5 1/20 0.77
SLCO1B1 Q9Y6L6 1/20 0.77
APP P05067 7/20 0.54
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 3/20 0.46
FFAR1 O14842 2/20 0.46
RECQL P46063 1/20 0.44

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
SCHEMBL8653833 1.00 ALDH1A1 (0.77) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL8652159 1.00 ALDH1A1 (0.77) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL16021972 0.90 ALDH1A1 (0.88) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL16021960 0.90 ALDH1A1 (0.88) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL16021978 0.90 ALDH1A1 (0.88) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL16021961 0.90 ALDH1A1 (0.88) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL5145490 0.90 ALDH1A1 (0.88) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL5143711 0.90 ALDH1A1 (0.88) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL5143990 0.90 ALDH1A1 (0.88) ALDH1A1MEN1USP2LMNACYP3A4
SCHEMBL17806183 0.89 MEN1 (0.97) ALDH1A1MEN1USP2LMNACYP3A4

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-5817741-A HEAT RESISTANCE; MELT PROCESSABILITY NATIONAL SCIENCE COUNCIL (TW) 1998-10-06 US disclosed