SCHEMBL13650271

SCHEMBL13650271

CCCNCCNC(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
PAOX Q6QHF9 1/20 0.45
KMT2A Q03164 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MMP8 P22894 1/20 0.39
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
DPP7 Q9UHL4 2/20 0.36
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL22171121 0.88 PAOX (0.57) USP2TSHRPAOXKMT2ACYP2C19
SCHEMBL100593 0.86
SCHEMBL26170580 0.86 ALDH1A1 (0.50) TSHRPAOXMMP8DPP7EPHX1
SCHEMBL13933505 0.84 TSHR (0.48) USP2TSHRKMT2ACYP2C19CYP2D6
Hydrochloric Acid SCHEMBL29172352 0.84 USP2 (0.46) USP2TSHRKMT2ACYP2C19CYP2D6
SCHEMBL22203823 0.83 PAOX (0.45) USP2TSHRPAOXKMT2ACYP2C19
SCHEMBL12131751 0.83 USP2 (0.55) USP2TSHRKMT2ACYP2C19CYP2D6
SCHEMBL22171087 0.83 KMT2A (0.46) USP2TSHRKMT2ACYP2C19CYP2D6
SCHEMBL16384387 0.83 TSHR (0.41) USP2TSHRKMT2ACYP2C19CYP2D6
SCHEMBL12522545 0.83 PAOX (0.45) USP2TSHRPAOXKMT2ACYP2C19

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
WO-2021195465-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN MAGNANI JOHN L (US) 2021-09-30 WO disclosed
US-7597884-B2 Hyperglycosylated polypeptide variants and methods of use ALIOS BIOPHARMA, INC. (US) 2009-10-06 US disclosed