SCHEMBL6364007

SCHEMBL6364007

C[Si](C)(C)C#Cc1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.39
NR3C2 P08235 1/20 0.38
ALDH1A1 P00352 3/20 0.35
GRM5 P41594 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CYP3A4 P08684 6/20 0.34
CYP2D6 P10635 5/20 0.34
CYP2C9 P11712 5/20 0.34
CYP2C19 P33261 5/20 0.34
TSHR P16473 3/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MME P08473 1/20 0.34
ECE1 P42892 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 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
SCHEMBL29896412 1.00 TRPV3 (0.39) TRPV3NR3C2ALDH1A1GRM5PTGDR2
SCHEMBL25307167 0.85 PKM (0.30)
SCHEMBL3658791 0.84 GRM5 (0.39) ALDH1A1GRM5CYP3A4CYP2D6CYP2C9
SCHEMBL27882169 0.81 ACACB (0.39) CYP11B1CYP11B2
SCHEMBL20929089 0.81 CYP11B1 (0.34) ALDH1A1CYP11B1CYP11B2KDM4E
SCHEMBL15540611 0.81 PTGDR2 (0.37) PTGDR2CYP11B1CYP11B2
SCHEMBL31029000 0.81 PTGDR2 (0.37) PTGDR2CYP11B1CYP11B2
SCHEMBL29172857 0.81 CYP11B2 (0.35) GRM5PTGDR2CYP2C19ALOX15CYP11B1
SCHEMBL3245685 0.80 ALDH1A1 (0.46) TRPV3NR3C2ALDH1A1GRM5PTGDR2
SCHEMBL21523856 0.78 CYP11B2 (0.40) GRM5CYP11B1CYP11B2

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
CN-106076443-B A kind of preparation method of micro channel array plate, the device and drop forming method for using it to obtain drop 北京天天极因科技有限公司 2019-05-24 CN disclosed
US-20050025892-A1 Composition for porous organic film SUMITOMO CHEMICAL COMPANY, LIMITED 2005-02-03 US disclosed