SCHEMBL11633583

SCHEMBL11633583

CCCCOC(=O)C(NC(=S)Cc1ccccc1)OCCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.45
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
CTSK P43235 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GLS O94925 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11634841 0.88 CNR2 (0.43) CNR2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL11635490 0.81 ALDH1A1 (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL11847608 0.79 TSHR (0.43) CNR2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL11640453 0.74 ALDH1A1 (0.45) CNR2TSHRL3MBTL1ALDH1A1MAPK1
SCHEMBL7573224 0.73 CNR2 (0.58) CNR2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL11631179 0.73 CNR2 (0.44) CNR2TSHRALDH1A1POLBMEN1
SCHEMBL11636828 0.72 CTSL (0.53) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL456516 0.72 ALDH1A1 (0.59) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL7895956 0.71 CNR2 (0.56) CNR2TSHRTDP1L3MBTL1ALDH1A1
Phenylacetic Acid SCHEMBL28134188 0.70 TSHR (0.50) CNR2TSHRTDP1L3MBTL1ALDH1A1

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
US-4108854-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1978-08-22 US disclosed
US-3997584-A Substituted glycines and intermediates thereof SMITHKLINE CORPORATION (US) 1976-12-14 US disclosed
US-3994954-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1976-11-30 US disclosed