SCHEMBL9755593

SCHEMBL9755593

CCCCCC(Cl)=C(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
ALDH1A1 P00352 4/20 0.52
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
AKR1B1 P15121 1/20 0.43
TP53 P04637 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6356432 0.97 TSHR (0.56) TSHRALDH1A1CES2CES1GPR84
SCHEMBL29282557 0.97 TSHR (0.56) TSHRALDH1A1CES2CES1GPR84
SCHEMBL28078118 0.97 TSHR (0.56) TSHRALDH1A1CES2CES1GPR84
SCHEMBL9770311 0.97 TSHR (0.56) TSHRALDH1A1CES2CES1GPR84
SCHEMBL16969673 0.91
SCHEMBL28010118 0.85 TSHR (0.62) TSHRALDH1A1CES2CES1GPR84
SCHEMBL16970161 0.80 TSHR (0.50) TSHRALDH1A1CES2CES1AKR1B1
SCHEMBL16970162 0.80 TSHR (0.50) TSHRALDH1A1CES2CES1AKR1B1
SCHEMBL16970252 0.80 TSHR (0.50) TSHRALDH1A1CES2CES1AKR1B1
SCHEMBL16970292 0.78 TSHR (0.54) TSHRALDH1A1CES2CES1AKR1B1

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-113860564-A Fenton oxidation regeneration of active carbon and treatment method of refractory organic wastewater 武汉工程大学 2021-12-31 CN claimed
CN-113860564-A Fenton oxidation regeneration of active carbon and treatment method of refractory organic wastewater 武汉工程大学 2021-12-31 CN disclosed
WO-1991011478-A1 BLOWING AGENTS FOR ISOCYANURATE FOAMS AND METHOD FOR PRODUCING THE SAME FISCHER, HARRY, A (CA) 1991-08-08 WO disclosed
US-4898893-A MIXTURES OF LIQUID HYDROCARBONS AND HALOGENATED ALIPHATIC HYDROCARBONS Fischer, Harry A. (CA) 1990-02-06 US disclosed