SCHEMBL28076828

SCHEMBL28076828

CCC(=O)CC.CCCC(=O)CC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
FFAR3 O14843 4/20 0.47
TSHR P16473 1/20 0.45
HDAC6 Q9UBN7 1/20 0.41
CTSD P07339 1/20 0.39
IAPP P10997 1/20 0.35
AKR1B1 P15121 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
SCHEMBL107318 0.97
SCHEMBL2784407 0.97
SCHEMBL6269442 0.93 TDP1 (0.67) TDP1CES2CES1ALDH1A1HDAC3
SCHEMBL27756378 0.93
Hydrochloric Acid SCHEMBL29110883 0.93
SCHEMBL412443 0.90 TDP1 (0.53) TDP1CES2CES1ALDH1A1HDAC3
Formaldehyde SCHEMBL16103575 0.90
Ethylene SCHEMBL28808016 0.90
SCHEMBL8618230 0.90 TDP1 (0.53) TDP1CES2CES1ALDH1A1HDAC3
Bicarbonate SCHEMBL318008 0.90 TDP1 (0.53) TDP1CES2CES1ALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110249013-B Low temperature curing coating composition PPG工业俄亥俄公司 2022-08-30 CN disclosed
CN-103502315-B Composition and polymer 旭化成株式会社 2016-08-17 CN disclosed
CN-105754099-A Composition and polymer 旭化成株式会社 2016-07-13 CN disclosed