SCHEMBL28301718

SCHEMBL28301718

CCCCC(CCCC)OF

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.39
OPRM1 P35372 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 4/20 0.33
CYP3A4 P08684 2/20 0.33
CA2 P00918 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
THRB P10828 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
SCHEMBL31197929 0.89
SCHEMBL2843204 0.75 DNM1 (0.43) DNM1OPRM1ALDH1A1TDP1TSHR
SCHEMBL29515324 0.74
SCHEMBL807201 0.73 DNM1 (0.41) DNM1OPRM1ALDH1A1TDP1TSHR
Ammonia Solution, Strong SCHEMBL1333604 0.73 DNM1 (0.41) DNM1OPRM1ALDH1A1TDP1TSHR
SCHEMBL14348243 0.72 DNM1 (0.36) DNM1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL8979970 0.72 OPRM1 (0.46) DNM1OPRM1ALDH1A1TDP1CYP3A4
SCHEMBL23365063 0.71 DNM1 (0.39) DNM1OPRM1ALDH1A1TDP1TSHR
SCHEMBL887651 0.71 ALDH1A1 (0.40) DNM1ALDH1A1TDP1TSHRCYP3A4
SCHEMBL5524610 0.71 DNM1 (0.39) DNM1OPRM1ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109906085-A Ophthalmic composition containing cyclosporine 诺瓦利克有限责任公司 2019-06-18 CN disclosed