SCHEMBL28601400

SCHEMBL28601400

CCC(C)(C)c1ccc(OCC(=O)OC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 11/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL28598670 0.87 SMN1; SMN2 (0.54) SMN1; SMN2
SCHEMBL28985501 0.86 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1RAB9APOLBMAOB
SCHEMBL12995868 0.82 SMN1; SMN2 (0.49) SMN1; SMN2HRH3NPC1RAB9APOLB
Formaldehyde SCHEMBL28601401 0.80 SMN1; SMN2 (0.68) SMN1; SMN2HRH3ALDH1A1NPC1RAB9A
SCHEMBL5280680 0.80 SMN1; SMN2 (0.72) SMN1; SMN2HRH3ALDH1A1NPC1RAB9A
SCHEMBL8042635 0.78 NPC1 (0.51) SMN1; SMN2HRH3NPC1RAB9APOLB
SCHEMBL8017456 0.78 SMN1; SMN2 (0.51) SMN1; SMN2HRH3NPC1RAB9APOLB
SCHEMBL28598973 0.78 CYP1A2 (0.49) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL12212732 0.78 SMN1; SMN2 (0.42) SMN1; SMN2HRH3NPC1RAB9APOLB
SCHEMBL2608033 0.77 SMN1; SMN2 (0.44) SMN1; SMN2HRH3NPC1RAB9APOLB

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-113201649-B Phenoxy carboxylic acid solid-phase extracting agent, and preparation method and application thereof 福建省长汀金龙稀土有限公司 2023-04-11 CN disclosed
CN-113201649-A Phenoxy carboxylic acid solid-phase extracting agent, and preparation method and application thereof 厦门钨业股份有限公司 2021-08-03 CN disclosed