SCHEMBL27697302

SCHEMBL27697302

COC(=O)C(C)COc1ccc(SC(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL22651641 0.81 ALDH1A1 (0.51) MAPTHPGDSMN1; SMN2ALDH1A1MTNR1A
SCHEMBL7749771 0.78 MAPT (0.51) MAPTHPGDSMN1; SMN2ALDH1A1MMP2
SCHEMBL12384285 0.78 MTNR1A (0.58) MAPTLMNAMTNR1AMTNR1BKMT2A
SCHEMBL11780675 0.76 ALDH1A1 (0.50) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL7045834 0.76 MAPT (0.54) MAPTSMN1; SMN2LMNAALDH1A1MTNR1A
SCHEMBL3717529 0.76 LOXL2 (0.51) LMNAMMP2MMP3GAATSHR
SCHEMBL16379337 0.75 ALDH1A1 (0.50) LMNAALDH1A1
SCHEMBL14341658 0.74 MAPT (0.47) MAPTHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL1808357 0.72 TDP1 (0.44) MAPTLMNAALDH1A1MTNR1AMTNR1B
SCHEMBL5229538 0.71 MAPT (0.53) MAPTHPGDSMN1; SMN2ALDH1A1MTNR1A

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-101014580-B Morpholine compound MITSUBISHI PHARMA CORP 2011-05-04 CN disclosed
CN-101014580-A Morpholine compound MITSUBISHI PHARMA CORP (JP) 2007-08-08 CN disclosed