SCHEMBL28436751

SCHEMBL28436751

O=C(O[C@H]1OCc2ccccc21)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.38
LMNA P02545 1/20 0.37
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
FABP7 O15540 2/20 0.33
FABP5 Q01469 2/20 0.33
FABP3 P05413 1/20 0.33
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
CYP2D6 P10635 3/20 0.33
SLC6A3 Q01959 1/20 0.33
TSHR P16473 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
SCHEMBL7403358 0.80 BCHE (0.40) BCHEMEN1KMT2ASLC6A2SLC6A4
SCHEMBL28440436 0.72 FABP7 (0.39) MEN1RAB9AKMT2ACHRM2CHRM1
SCHEMBL3418110 0.71 SLC6A2 (0.41) SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL27337448 0.69 IDO1 (0.57) LMNAMEN1KMT2ATSHR
SCHEMBL28327093 0.67 RAB9A (0.40) LMNARAB9AKMT2ASLC6A2SLC6A4
SCHEMBL11094926 0.67 SLC6A2 (0.38) BCHERAB9ASLC6A2SLC6A4CYP2D6
SCHEMBL3639787 0.66 TSHR (0.41) RAB9AKMT2AL3MBTL1TSHR
SCHEMBL28002393 0.66 RAB9A (0.37) LMNARAB9AKMT2ASLC6A2SLC6A4
SCHEMBL6618609 0.65 ATM (0.42) LMNARAB9AKMT2ASLC6A2SLC6A4
SCHEMBL17231948 0.65 TSHR (0.44) MEN1KMT2AL3MBTL1SLC6A2SLC6A4

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-111518062-A Preparation method of tasimelteon key intermediate 杭州拜善晟生物科技有限公司 2020-08-11 CN claimed
CN-111518062-A Preparation method of tasimelteon key intermediate 杭州拜善晟生物科技有限公司 2020-08-11 CN disclosed