SCHEMBL8430285

SCHEMBL8430285

CCOc1c(C(C)(C)C)cc(CC(=O)OCCCO)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
VCAM1 P19320 4/20 0.38
THRB P10828 2/20 0.38
F2R P25116 5/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RARG P13631 3/20 0.33
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
THRA P10827 1/20 0.33
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL8432409 0.96 VCAM1 (0.39) POLBVCAM1THRBF2RLMNA
SCHEMBL8430391 0.92 THRB (0.39) POLBVCAM1THRBLMNAMAPT
SCHEMBL8430371 0.89 VCAM1 (0.36) POLBVCAM1THRBF2RLMNA
SCHEMBL7933682 0.87 CYP4F2 (0.43) POLBVCAM1THRBF2RGAA
SCHEMBL8433346 0.86 VCAM1 (0.39) VCAM1F2RSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7940177 0.86 VCAM1 (0.40) POLBVCAM1ALDH1A1
SCHEMBL7943173 0.84 CYP4F2 (0.42) POLBVCAM1THRBF2RGAA
SCHEMBL8430284 0.83 VCAM1 (0.40) VCAM1F2RSMN1; SMN2ALDH1A1GAA
SCHEMBL7940366 0.83 VCAM1 (0.41) POLBVCAM1F2RALDH1A1
SCHEMBL8432219 0.82 VCAM1 (0.38) VCAM1F2RSMN1; SMN2TSHRALDH1A1

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