SCHEMBL30288134

SCHEMBL30288134

CCCCOC(=O)CCCC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 3/20 0.50
DGKA P23743 1/20 0.50
CYP1A2 P05177 1/20 0.50
NAAA Q02083 5/20 0.46
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
DNM1 Q05193 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
SCHEMBL29089245 0.94 DGKA (0.56) SMN1; SMN2EPHX2DGKACYP1A2NAAA
SCHEMBL5709875 0.92 EPHX2 (0.56) SMN1; SMN2EPHX2DGKACYP1A2NAAA
SCHEMBL8413450 0.90 MEN1 (0.52) SMN1; SMN2EPHX2DGKACYP1A2NAAA
SCHEMBL28992205 0.90 CYP1A2 (0.55) SMN1; SMN2EPHX2DGKACYP1A2NAAA
SCHEMBL28326652 0.88 SMN1; SMN2 (0.56) SMN1; SMN2EPHX2DGKACYP1A2NAAA
SCHEMBL16814874 0.88 DGKA (0.47) SMN1; SMN2EPHX2DGKACYP1A2NAAA
SCHEMBL28878179 0.88 DGKA (0.52) SMN1; SMN2EPHX2DGKACYP1A2NAAA
SCHEMBL1516540 0.88 DGKA (0.57) SMN1; SMN2EPHX2DGKACYP1A2NAAA
SCHEMBL11821128 0.87 DGKA (0.59) EPHX2DGKANAAADNM1
SCHEMBL11858057 0.87 DGKA (0.59) EPHX2DGKANAAADNM1

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-110809467-B Modulators of SESTRIN-GATOR2 interactions and uses thereof 纳维托制药有限公司 2023-03-10 CN disclosed