SCHEMBL8433346

SCHEMBL8433346

COc1c(C(C)(C)C)cc(CC(=O)OCCCO)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNFRSF1A P19438 2/20 0.36
TLR7 Q9NYK1 1/20 0.35
DHFR P00374 1/20 0.35
F2R P25116 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8430284 0.96 VCAM1 (0.40) VCAM1KMT2AALOX5MEN1ALDH1A1
SCHEMBL8432219 0.92 VCAM1 (0.38) VCAM1KMT2AALOX5MEN1ALDH1A1
SCHEMBL8434292 0.92 KMT2A (0.40) VCAM1KMT2AALOX5MEN1ALDH1A1
SCHEMBL8434083 0.90 VCAM1 (0.38) VCAM1KMT2AALOX5MEN1ALDH1A1
SCHEMBL7940008 0.86 ALOX5 (0.41) VCAM1KMT2AALOX5ALDH1A1GAA
SCHEMBL8430285 0.86 POLB (0.38) VCAM1ALDH1A1GAASMN1; SMN2TLR7
SCHEMBL7941137 0.85 VCAM1 (0.42) VCAM1ALOX5ALDH1A1GAACYP3A4
SCHEMBL8432326 0.84 KMT2A (0.38) VCAM1KMT2AALOX5MEN1ALDH1A1
SCHEMBL8430423 0.83 KMT2A (0.37) VCAM1KMT2AALOX5MEN1ALDH1A1
SCHEMBL8432409 0.83 VCAM1 (0.39) VCAM1SMN1; SMN2TLR7F2RL3MBTL1

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-5891939-A POLYMER STABILIZERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-06 US disclosed