SCHEMBL25853752

SCHEMBL25853752

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 3/20 0.41
USP2 O75604 1/20 0.41
CA2 P00918 6/20 0.39
CA1 P00915 4/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 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
SCHEMBL28192721 0.86 CA2 (0.45) ALDH1A1TSHRUSP2CA2CA1
SCHEMBL28193296 0.83 HDAC7 (0.48) ALDH1A1TSHRCA2CA1MAPK1
SCHEMBL723389 0.83 CA2 (0.58) ALDH1A1CA2MAPK1TDP1LMNA
SCHEMBL723391 0.83 FOLH1 (0.48) HDAC8HDAC1HDAC2
SCHEMBL28142687 0.81 CA2 (0.59) ALDH1A1TSHRUSP2CA2CA1
SCHEMBL28753824 0.81 ALDH1A1 (0.39) ALDH1A1TSHRUSP2CA2CA1
SCHEMBL28048852 0.81 TSHR (0.38) TSHRUSP2CA2CA1MAPK1
SCHEMBL28753825 0.81 ALDH1A1 (0.39) ALDH1A1TSHRUSP2CA2CA1
SCHEMBL27543202 0.81 TSHR (0.38) TSHRUSP2CA2CA1MAPK1
SCHEMBL8722957 0.81 CA2 (0.43) TSHRUSP2CA2CA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101600681-B Process for the reductive amination of aldehydes and ketones DOW GLOBAL TECHNOLOGIES INC 2013-09-18 CN claimed
US-20230322989-A1 BONDING DISSIMILAR POLYMER NETWORKS IN VARIOUS MANUFACTURING PROCESSES NATIONAL SCIENCE FOUNDATION 2023-10-12 US disclosed
US-11702495-B2 Bonding dissimilar polymer networks in various manufacturing processes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-07-18 US disclosed
US-9839694-B2 Reduction of endotoxins from polyanionic polymer conjugates NITTO DENKO CORPORATION (JP) 2017-12-12 US disclosed
CN-101600681-B Process for the reductive amination of aldehydes and ketones DOW GLOBAL TECHNOLOGIES INC 2013-09-18 CN disclosed
US-8318795-B2 Antioxidant polymers containing [1,2]-dithiolane moieties and uses thereof CEDARS-SINAI MEDICAL CENTER (US) 2012-11-27 US disclosed
CN-101213167-B Process for reductive amination of aldehydes and ketones by formation of macrocyclic polyimine intermediates DOW GLOBAL TECHNOLOGIES INC 2012-05-23 CN disclosed
CN-101600681-A The reduction amination method of aldehyde and ketone DOW GLOBAL TECHNOLOGIES INC (US) 2009-12-09 CN disclosed
CN-101213167-A Process for reductive amination of aldehydes and ketones by formation of macrocyclic polyimine intermediates DOW GLOBAL TECHNOLOGIES INC (US) 2008-07-02 CN disclosed