SCHEMBL28033085

SCHEMBL28033085

O=CCCCC(=O)c1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B3 P37058 7/20 0.42
HTR7 P34969 1/20 0.41
PARP10 Q53GL7 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL5181691 0.83 NPC1 (0.70) ALDH1A1NPC1RAB9AL3MBTL1LMNA
SCHEMBL6579608 0.81 HSD17B3 (0.65) ALDH1A1NPC1RAB9AL3MBTL1HSD17B3
SCHEMBL19287151 0.81 GSK3B (0.52) ALDH1A1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL14754450 0.81 NPC1 (0.71) ALDH1A1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL946292 0.81 TDP1 (0.67) ALDH1A1NPC1RAB9AKMT2AL3MBTL1
SCHEMBL3027932 0.80 HSD17B3 (0.66) ALDH1A1L3MBTL1HSD17B3HTR7
SCHEMBL10710242 0.80 NPC1 (0.46) NPC1RAB9AKMT2AL3MBTL1LMNA
SCHEMBL1476853 0.79 ALDH1A1 (0.73) ALDH1A1KMT2AL3MBTL1TDP1PARP10
SCHEMBL3844202 0.79 HSD17B3 (0.67) L3MBTL1LMNAMAPTTDP1HSD17B3
SCHEMBL9506499 0.79 HSD17B3 (0.67) L3MBTL1LMNAMAPTTDP1HSD17B3

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-105061645-A Preparation method of high-viscosity polyvinyl acetal YIFAN XINFU PHARMACEUTICAL CO LTD 2015-11-18 CN claimed
CN-105061645-A Preparation method of high-viscosity polyvinyl acetal YIFAN XINFU PHARMACEUTICAL CO LTD 2015-11-18 CN disclosed