SCHEMBL10523780

SCHEMBL10523780

CCOC(=O)[C@H](Br)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.50
MMP8 P22894 1/20 0.48
TSHR P16473 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PIN1 Q13526 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
ABCB1 P08183 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL305973 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMMP8TSHRMEN1
SCHEMBL9530414 0.89 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMMP8TDP1LMNA
SCHEMBL1421006 0.86 SMN1; SMN2 (0.58) SMN1; SMN2MAPTTSHRMEN1KMT2A
SCHEMBL3507308 0.85 TSHR (0.50) SMN1; SMN2MAPTTSHRMEN1KMT2A
SCHEMBL27492502 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMMP8TSHRMEN1
SCHEMBL7437317 0.85 ALDH1A1 (0.50) SMN1; SMN2TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL7265343 0.84 TSHR (0.54) TSHRMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2340596 0.83 MMP8 (0.58) SMN1; SMN2MAPTMMP8TSHRMEN1
SCHEMBL18065697 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMMP8TSHRMEN1
SCHEMBL935980 0.83 TDP1 (0.59) SMN1; SMN2MAPTMMP8TSHRMEN1

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
JP-1121297-A None JP disclosed
JP-H01121297-A PRODUCTION OF N-SUBSTITUTED-AMINO ACID DERIVATIVE SAGAMI CHEM RES CENTER 1989-05-12 JP disclosed