SCHEMBL29265486

SCHEMBL29265486

C=C(OCC)C(=O)O.O=C(OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 3/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 3/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL28932605 0.87 ALDH1A1 (0.57) ALDH1A1MAPTLMNASMN1; SMN2NPC1
Benzoic Acid SCHEMBL28932604 0.86 ALDH1A1 (0.56) ALDH1A1MAPTLMNASMN1; SMN2NPC1
Benzoyl Chloride SCHEMBL28932613 0.83 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL1055708 0.83 ALDH1A1 (0.61) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL2006820 0.83 LMNA (0.58) ALDH1A1MAPTLMNASMN1; SMN2NPC1
Biphenyl SCHEMBL29145677 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2NPC1
SCHEMBL11769775 0.82 SMN1; SMN2 (0.66) ALDH1A1MAPTLMNASMN1; SMN2NPC1
Benzene SCHEMBL28028638 0.82 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPC1GAA
Phenol SCHEMBL29082253 0.81 ALDH1A1 (0.49) ALDH1A1MAPTNPC1GAAKMT2A
SCHEMBL27849099 0.80 LMNA (0.54) ALDH1A1MAPTLMNASMN1; SMN2KMT2A

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-115594793-B Liquid crystal polymer and preparation method thereof 宁夏清研高分子新材料有限公司 2024-06-25 CN disclosed