SCHEMBL20472201

SCHEMBL20472201

CCCN(CCC)C(=O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CA2 P00918 3/20 0.46
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 2/20 0.39
CA1 P00915 3/20 0.39
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
KCNH2 Q12809 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RX1 P51575 2/20 0.34
P2RX4 Q99571 2/20 0.34
P2RX3 P56373 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 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
SCHEMBL20472237 0.91 CA12 (0.47) CA12CA9CA2TSHRMAPK1
SCHEMBL20472243 0.91 CA12 (0.43) CA12CA9CA2TSHRMAPK1
SCHEMBL20472239 0.88 CA12 (0.42) CA12CA9CA2MAPK1CA1
SCHEMBL811518 0.86 CA12 (0.50) CA12CA9CA2MAPK1ALDH1A1
SCHEMBL9576719 0.84 CA12 (0.43) CA12CA9CA2MAPK1CA1
SCHEMBL20472611 0.82 CA12 (0.45) CA12CA9CA2MAPK1CA1
SCHEMBL8618803 0.82 CA12 (0.45) CA12CA9CA2MAPK1CA1
SCHEMBL8622413 0.82 CA12 (0.45) CA12CA9CA2MAPK1CA1
SCHEMBL9462283 0.82 CA12 (0.48) CA12CA9CA2TSHRMAPK1
SCHEMBL22685010 0.80 CA12 (0.46) CA12CA9CA2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4697957-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2026-02-25 EP disclosed
WO-2024218124-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2024-10-24 WO disclosed
EP-3580290-B1 LOW-TEMPERATURE CURING COATING COMPOSITIONS PPG IND OHIO INC (US) 2024-05-01 EP disclosed
US-11952514-B2 Low-temperature curing adhesive compositions PPG INDUSTRIES OHIO, INC. (US) 2024-04-09 US disclosed
CN-117715991-A Electrodepositable coating composition PPG工业俄亥俄公司 2024-03-15 CN disclosed
CN-110249013-B Low temperature curing coating composition PPG工业俄亥俄公司 2022-08-30 CN disclosed
CN-110300770-B Low temperature curing adhesive composition PPG工业俄亥俄公司 2022-03-01 CN disclosed
EP-3580253-B1 LOW-TEMPERATURE CURING ADHESIVE COMPOSITIONS PPG IND OHIO INC (US) 2021-04-07 EP disclosed
CN-110300770-A Low-temperature setting adhesive composition PPG工业俄亥俄公司 2019-10-01 CN disclosed
CN-110249013-A low temperature curing coating composition PPG工业俄亥俄公司 2019-09-17 CN disclosed
WO-2018148306-A1 LOW-TEMPERATURE CURING COATING COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2018-08-16 WO disclosed
WO-2018148323-A1 LOW-TEMPERATURE CURING ADHESIVE COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2018-08-16 WO disclosed