SCHEMBL8577648

SCHEMBL8577648

CC(C)[Si](CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(c1ccccc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA2 P00918 3/20 0.35
CA1 P00915 1/20 0.35
VCAM1 P19320 4/20 0.35
TNFRSF1A P19438 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7521627 0.87 ALDH1A1 (0.41) HPNMAPTALOX15SIRT5GAA
SCHEMBL8578900 0.82 HPN (0.42) HPNMAPTALOX15SIRT5MEN1
SCHEMBL5692124 0.82 HPN (0.45) HPNMAPTALOX15SIRT5MEN1
SCHEMBL8579268 0.82 HPN (0.40) HPNMAPTALOX15SIRT5MEN1
SCHEMBL8389493 0.81 HPN (0.44) HPNMAPTALOX15SIRT5MEN1
SCHEMBL7523211 0.79 ALOX15 (0.39) MAPTALOX15CYP1A2CYP3A4CYP2C9
Butyric Acid SCHEMBL27517478 0.78 HSP90AA1 (0.34) MAPTALOX15GAACYP2C9CYP2C19
SCHEMBL8576602 0.78 ALOX15 (0.50) HPNMAPTALOX15SIRT5MEN1
SCHEMBL8440793 0.78 ESR1 (0.43) CYP2C9CYP2C19CA2ALDH1A1
SCHEMBL8578022 0.77 HPN (0.41) HPNMAPTALOX15SIRT5MEN1

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-5795876-A ANTIINFLAMMATORY AGENTS HOECHST MARION ROUSSSEL, INC. (US) 1998-08-18 US disclosed