SCHEMBL9621395

SCHEMBL9621395

C[Si](C)(C)OC(O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
LAP3 P28838 1/20 0.42
TAAR1 Q96RJ0 4/20 0.42
SLC6A2 P23975 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CYP1A2 P05177 1/20 0.41
EPHX1 P07099 1/20 0.40
SLC18A2 Q05940 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRR Q9GZT4 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALPI P09923 1/20 0.38
PKM P14618 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
SCHEMBL9621418 0.82 TRPA1 (0.40) TRPA1LAP3TAAR1SLC6A2SIGMAR1
SCHEMBL6178463 0.81 TRPA1 (0.46) TRPA1LAP3TAAR1SLC6A2SIGMAR1
SCHEMBL1279581 0.77 LAP3 (0.50) TRPA1LAP3TAAR1SLC6A2SIGMAR1
SCHEMBL7268862 0.77 LAP3 (0.50) TRPA1LAP3TAAR1SLC6A2SIGMAR1
SCHEMBL11491833 0.76 CYP1A2 (0.48) TRPA1LAP3TAAR1SLC6A2SIGMAR1
SCHEMBL10589698 0.76 MDM2 (0.48) TRPA1LAP3TAAR1SLC6A2SIGMAR1
SCHEMBL3495199 0.73 TRPA1 (0.50) TRPA1LAP3TAAR1SLC6A2SIGMAR1
SCHEMBL1356948 0.73 TRPA1 (0.50) TRPA1LAP3TAAR1SLC6A2SIGMAR1
SCHEMBL9120328 0.72 TRPA1 (0.44) TRPA1LAP3TAAR1SLC6A2SIGMAR1
SCHEMBL7054351 0.72 MDM2 (0.54) SRR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307106-B1 P- OR M-TERT BUTOXYPHENETHYL ALCOHOL AND PROCESS FOR PREPARING THE SAME HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1992-01-15 EP disclosed
EP-0307106-A1 P- or m-tert butoxyphenethyl alcohol and process for preparing the same HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1989-03-15 EP disclosed