SCHEMBL541168

SCHEMBL541168

CCCN(CC(C)(C)C=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA1 P00915 2/20 0.31
MLYCD O95822 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL2421822 0.74 MEN1 (0.31) TSHRMAPK1ALDH1A1
SCHEMBL342111 0.74 CA12 (0.41) CA12CA2CA9ALDH1A1HPGD
SCHEMBL41505 0.73 CA12 (0.55) CA12CA2CA9TSHRMAPK1
SCHEMBL3614160 0.73 KDM4E (0.33) CA12CA2CA9
Bromide SCHEMBL11753648 0.71 CA12 (0.52) CA12CA2CA9TSHRMAPK1
Hydrochloric Acid SCHEMBL10822973 0.71 CA12 (0.52) CA12CA2CA9TSHRMAPK1
SCHEMBL2086403 0.71 CA12 (0.43) CA12CA2CA9TSHRMAPK1
SCHEMBL29952211 0.71
SCHEMBL2420910 0.71
SCHEMBL15331328 0.69 KCNH2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414421-A1 MOISTURE-REACTIVE POLYURETHANE COMPOSITION WITH ACCELERATED CURING ACHIEVED BY THE ACTION OF HEAT Sika Technology AG (CH) 2012-02-08 EP disclosed
EP-2414418-A1 COMPOSITION CONTAINING A SURFACE-DEACTIVATED POLYISOCYANATE AND CURING IN TWO STAGES Sika Technology AG (CH) 2012-02-08 EP disclosed
WO-2010112536-A1 HOT CURING OR HEAT-ACTIVATED COMPOSITION CONTAINING A SURFACE-DEACTIVATED POLYISOCYANATE SIKA TECHNOLOGY AG (CH) 2010-10-07 WO disclosed
WO-2010112535-A1 MOISTURE-REACTIVE POLYURETHANE COMPOSITION WITH ACCELERATED CURING ACHIEVED BY THE ACTION OF HEAT SIKA TECHNOLOGY AG (CH) 2010-10-07 WO disclosed
WO-2010112537-A1 COMPOSITION CONTAINING A SURFACE-DEACTIVATED POLYISOCYANATE AND CURING IN TWO STAGES SIKA TECHNOLOGY AG (CH) 2010-10-07 WO disclosed