SCHEMBL6403242

SCHEMBL6403242

O=C(Cl)CCC(=O)Cl.O=C(Cl)CCCCC(=O)Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
ALDH1A1 P00352 3/20 0.63
TP53 P04637 1/20 0.61
LMNA P02545 2/20 0.41
NFKB1 P19838 2/20 0.39
PMP22 Q01453 1/20 0.39
CES2 O00748 4/20 0.33
CES1 P23141 4/20 0.33
SLC22A6 Q4U2R8 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
AKR1B1 P15121 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL132364 0.96 TSHR (0.67) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL2154814 0.92 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL6057425 0.92 ALDH1A1 (0.61) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL6057206 0.92 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL495310 0.92 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL7329781 0.92 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL466419 0.92 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL494288 0.92 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
Hydrochloric Acid SCHEMBL7947881 0.92 TSHR (0.63) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL2154041 0.92 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951905-B2 Reacting a bisoxazolone with a diamine terminated oligomer in a solvent at a temperature of < 80 degrees c QINETIQ LIMITED (GB) 2005-10-04 US disclosed
US-20030158349-A1 Bisoxazolone based polymers QINETIQ LIMITED (GB) 2003-08-21 US disclosed