SCHEMBL28138503

SCHEMBL28138503

CCc1ccccc1NC(=O)OC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAOB P27338 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.49
KCNK3 O14649 1/20 0.48

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
SCHEMBL27693435 0.89 SMN1; SMN2 (0.49) ALDH1A1POLBTAS1R3TAS1R1SMN1; SMN2
SCHEMBL4940838 0.83 ALDH1A1 (0.52) ALDH1A1MAPTGAAKCNK3KCNK9
SCHEMBL8867746 0.83 SMN1; SMN2 (0.45) ALDH1A1POLBSMN1; SMN2MAOBHDAC3
SCHEMBL8867755 0.83 SMN1; SMN2 (0.45) ALDH1A1POLBSMN1; SMN2MAOBHDAC3
SCHEMBL9587541 0.82 ALDH1A1 (0.54) ALDH1A1POLBTAS1R3TAS1R1SMN1; SMN2
SCHEMBL11798134 0.79 NPC1 (0.58) ALDH1A1POLBSMN1; SMN2MAOBMAPT
SCHEMBL1400826 0.79 ALDH1A1 (0.64) ALDH1A1POLBSMN1; SMN2MAOBHDAC3
SCHEMBL7256712 0.79 GAA (0.56) SMN1; SMN2MAOBMAPTGAAHTT
SCHEMBL13469120 0.79 L3MBTL1 (0.70) ALDH1A1POLBTAS1R3TAS1R1SMN1; SMN2
SCHEMBL7255889 0.79 HPGD (0.54) ALDH1A1SMN1; SMN2MAOBHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106497175-A A kind of lifting bag film 无锡三帝特种高分子材料有限公司 2017-03-15 CN disclosed