SCHEMBL20436626

SCHEMBL20436626

CC(C)(C)[Si](C)(C)OC(CCO)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CSNK1E P49674 1/20 0.33
FOLH1 Q04609 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 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
SCHEMBL5855399 0.87 TDP1 (0.39) TSHRTDP1MAPT
SCHEMBL5855412 0.87 TDP1 (0.39) TSHRTDP1MAPT
SCHEMBL17375167 0.85 ALDH1A1 (0.41) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL8072983 0.85 TAAR1 (0.33) TRPA1SLC6A2TAAR1MAOASLC6A4
SCHEMBL21069311 0.82 POLB (0.35) TSHRMAPT
SCHEMBL22609367 0.82 POLB (0.35) TSHRMAPT
SCHEMBL24111210 0.81 LTA4H (0.46) CYP1A2
SCHEMBL6118654 0.80 IDO1 (0.35) TAAR1TSHRCTSK
SCHEMBL16414460 0.79 MMP12 (0.38) TRPA1TSHRTDP1MAPT
SCHEMBL16414459 0.79 MMP12 (0.38) TRPA1TSHRTDP1MAPT

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
WO-2018140738-A1 NRF 2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed