SCHEMBL28334165

SCHEMBL28334165

CCC[n+]1ccccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
RGS12 O14924 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL28334162 0.89 NPC1 (0.41) CYP2D6CYP2C19SMN1; SMN2CES2CES1
SCHEMBL28336516 0.85 CYP2D6 (0.41) CYP2D6CYP2C19SMN1; SMN2CES2CES1
SCHEMBL10401531 0.84 KMT2A (0.39) CYP2D6CYP2C19SMN1; SMN2NPC1POLB
SCHEMBL8868265 0.84 CYP2D6 (0.35) CYP2D6CYP2C19SMN1; SMN2CES2CES1
Hydrochloric Acid SCHEMBL28336408 0.83 CYP2D6 (0.40) CYP2D6CYP2C19SMN1; SMN2CES2CES1
SCHEMBL28333934 0.81 TSHR (0.40) CYP2C19SMN1; SMN2POLBRAB9ACA12
SCHEMBL122095 0.77 HDAC1 (0.46) CYP2D6CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL124600 0.76 MAPT (0.46) SMN1; SMN2CES1NPC1RAB9AMAPK1
SCHEMBL5327287 0.76 TP53 (0.42) SMN1; SMN2POLBALDH1A1LMNAHPGD
SCHEMBL124943 0.76 CYP2D6 (0.60) CYP2D6CYP2C19SMN1; SMN2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116103711-A Forward and reverse pulse electrolytic nickel-phosphorus alloy solution, preparation method, electroplating method and nickel-phosphorus alloy coating 安徽智备工业科技有限公司 2023-05-12 CN claimed
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 CN claimed
CN-116103711-A Forward and reverse pulse electrolytic nickel-phosphorus alloy solution, preparation method, electroplating method and nickel-phosphorus alloy coating 安徽智备工业科技有限公司 2023-05-12 CN disclosed
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 CN disclosed