SCHEMBL8397179

SCHEMBL8397179

CCCCC(OC(=O)OC(CCCC)N(CCCC)CCCC)N(CCCC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
CA2 P00918 7/20 0.36
MAPK1 P28482 1/20 0.35
CTSK P43235 2/20 0.33
PLA2G2C Q5R387 1/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
FDPS P14324 1/20 0.32
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL8399767 0.96 CA1 (0.37) CA1CA12CA9MMP1MMP2
Hydrochloric Acid SCHEMBL8518330 0.91 GPR84 (0.39) CA2LMNA
Hydrochloric Acid SCHEMBL8396383 0.78 GPR84 (0.36) CA1CA2LMNA
SCHEMBL5497201 0.77 MMP1 (0.38) CA1CA12CA9MMP1MMP2
SCHEMBL11279407 0.76 TSHR (0.42) CA1CA12CA9TSHRALDH1A1
SCHEMBL11857562 0.75 NAAA (0.42) MAPK1LMNA
SCHEMBL28679641 0.75 TSHR (0.46) CA2TSHRLMNA
SCHEMBL2830764 0.74 TSHR (0.43) CA1CA12CA9MMP1MMP2
SCHEMBL2830554 0.74 TSHR (0.41) CA1CA12CA9MMP1MMP2
SCHEMBL8553482 0.74 CHRM1 (0.34) CYP3A4TSHRTDP1FDPS

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
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 WO disclosed