SCHEMBL9575958

SCHEMBL9575958

CCO[Si](CCCOCCOc1ccc(C[C](C)O)cc1)(OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
RARB P10826 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
RARA P10276 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDE4A P27815 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL9575725 0.93 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL9575960 0.84 ACACB (0.41) ALDH1A1LMNARARBSMN1; SMN2MEN1
SCHEMBL9575778 0.76 LMNA (0.37) ALDH1A1LMNARARBSMN1; SMN2MEN1
SCHEMBL9575730 0.76 ACACB (0.40) ALDH1A1LMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL9064593 0.74 RARB (0.47) LMNARARBSMN1; SMN2RARAPLA2G4B
SCHEMBL2579282 0.74 KCNA3 (0.54) ALDH1A1SMN1; SMN2HDAC10HDAC6RECQL
SCHEMBL16448439 0.74 ESR1 (0.38) ALDH1A1LMNASMN1; SMN2CYP3A4KDM4E
SCHEMBL16248363 0.73 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2CYP3A4KDM4E
SCHEMBL16448438 0.72 LMNA (0.36) ALDH1A1LMNASMN1; SMN2CYP3A4KDM4E
SCHEMBL16448437 0.72 KDM4E (0.39) ALDH1A1LMNASMN1; SMN2KDM4E

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
EP-0281941-B1 Coreactive photoinitiators CIBA GEIGY AG (CH) 1993-12-08 EP claimed