SCHEMBL9758610

SCHEMBL9758610

CC[Si](CC)(CC)OOC(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
TAAR1 Q96RJ0 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.35
SCN4A P35499 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
FFAR1 O14842 1/20 0.34
TRPA1 O75762 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
AOC3 Q16853 1/20 0.33
NUDT1 P36639 1/20 0.33
TACR1 P25103 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL5431494 0.77 HCAR2 (0.42) ADRA2AADRA2BADRA2CTAAR1LMNA
SCHEMBL464725 0.76 HCAR2 (0.45) ADRA2AADRA2BADRA2CTAAR1LMNA
SCHEMBL1201033 0.75 TRPA1 (0.36) LMNAHTTTRPA1
SCHEMBL1289408 0.74 TAAR1 (0.40) ADRA2AADRA2BADRA2CTAAR1LMNA
SCHEMBL28012332 0.71 TAAR1 (0.38) ADRA2AADRA2BADRA2CTAAR1LMNA
SCHEMBL27685764 0.70 HCAR2 (0.41) ADRA2AADRA2BADRA2CTAAR1LMNA
SCHEMBL7853355 0.70 HCAR2 (0.41) ADRA2AADRA2BADRA2CTAAR1LMNA
SCHEMBL27104068 0.69 TAAR1 (0.45) TAAR1LMNASCN4ATRPA1AOC3
SCHEMBL20012560 0.69 L3MBTL1 (0.44) ADRA2AADRA2BTAAR1LMNAHTT
SCHEMBL11982736 0.69 L3MBTL1 (0.44) ADRA2AADRA2BTAAR1LMNAHTT

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
JP-3206058-A None JP disclosed
JP-H03206058-A PRODUCTION OF HYDROXYL GROUP-CONTAINING COMPOUND MITSUI PETROCHEM IND LTD 1991-09-09 JP disclosed