SCHEMBL28985808

SCHEMBL28985808

C=C(c1ccccc1)C(Cl)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.38
ATM Q13315 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
XBP1 P17861 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HKDC1 Q2TB90 1/20 0.35
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL9050192 0.84 SLC6A2 (0.38) LMNAMAPTATMSMN1; SMN2XBP1
SCHEMBL11215655 0.78 SMN1; SMN2 (0.47) LMNAMAPTATMSMN1; SMN2XBP1
SCHEMBL10410771 0.77 LMNA (0.44) LMNAMAPTATMSMN1; SMN2XBP1
SCHEMBL3383365 0.77 MAPT (0.48) LMNAMAPTATMSMN1; SMN2XBP1
SCHEMBL4021295 0.76 LMNA (0.47) LMNAMAPTATMSMN1; SMN2XBP1
SCHEMBL633350 0.75 PGR (0.52) LMNAMAPTATMSMN1; SMN2ALDH1A1
SCHEMBL11112637 0.73 MAOA (0.32) LMNAMAPTATMSMN1; SMN2XBP1
SCHEMBL5034590 0.72 SMN1; SMN2 (0.39) LMNAMAPTATMSMN1; SMN2XBP1
SCHEMBL810130 0.72 MAOA (0.41) LMNAMAPTATMSMN1; SMN2XBP1
SCHEMBL830415 0.71 SMN1; SMN2 (0.47) LMNAMAPTATMSMN1; SMN2XBP1

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-115974234-A Acid recovery device 杭州水处理技术研究开发中心有限公司 2023-04-18 CN disclosed