SCHEMBL28016352

SCHEMBL28016352

CC(C)SCOc1ccccc1[C]=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
MAOA P21397 1/20 0.31
HTR2B P41595 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17103554 0.77 HTR2C (0.41) SMN1; SMN2MAPK1ALDH1A1TSHRHTR1A
SCHEMBL7362512 0.75 ALDH1A1 (0.38) SMN1; SMN2MAPK1ALDH1A1TSHRNPC1
SCHEMBL6539807 0.75 HTT (0.54) SMN1; SMN2MAPK1ALDH1A1KDM4ETP53
SCHEMBL535645 0.74 ALDH1A1 (0.50) ALDH1A1GAAKDM4ENPSR1
SCHEMBL522409 0.74
SCHEMBL6539854 0.73 HTT (0.45) SMN1; SMN2MAPK1ALDH1A1HPGDKDM4E
SCHEMBL947129 0.72 PTGDR2 (0.38) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL910513 0.72 CYP1A2 (0.43) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL9033675 0.71 PTGDR2 (0.40) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL10911290 0.71 DRD1 (0.42) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023322-A New bicyclic nucleoside and oligomer prepared therefrom 伯尔尼大学 2019-07-16 CN disclosed
CN-109562122-A Oligonucleotides, composition and its method 波涛生命科学有限公司 2019-04-02 CN disclosed
CN-109462995-A The method and composition of bioactivator 波涛生命科学有限公司 2019-03-12 CN disclosed
CN-104661664-A Chiral control WAVE LIFE SCIENCES PTY LTD 2015-05-27 CN disclosed