SCHEMBL6284119

SCHEMBL6284119

CC(C)(C)c1ccc(Cc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
SMO Q99835 2/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
LMNA P02545 4/20 0.44

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
SCHEMBL348623 0.88 TSHR (0.52) SMN1; SMN2HTTADRA2AADRA2BADRA2C
SCHEMBL70544 0.85 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL4029852 0.81 LMNA (0.62) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL23483447 0.81 ESR1 (0.57) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL9003836 0.81 TAAR1 (0.47) TAAR1IDO1BCHEACHEALDH1A1
SCHEMBL1468357 0.80 IDO1 (0.58) LMNATAAR1TSHRIDO1LOXL2
SCHEMBL16561361 0.80 IDO1 (0.58) LMNATAAR1TSHRIDO1LOXL2
SCHEMBL7935401 0.79 SRD5A2 (0.52) TAAR1IDO1LOXL2ALDH1A1CYP3A4
SCHEMBL3452699 0.79 CALM1 (0.57) SMN1; SMN2NPC1RAB9AADRA2AADRA2B
SCHEMBL6547963 0.79 TSHR (0.71) SMN1; SMN2MAPTHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851608-B Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound 浙江工业大学 2022-07-15 CN disclosed
CN-112851608-A Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound 浙江工业大学 2021-05-28 CN disclosed
US-6951918-B2 Peptidic procollagen C-proteinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-10-04 US disclosed