SCHEMBL10817606

SCHEMBL10817606

CCC(C=C(C)C(=O)O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
EPHX1 P07099 3/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 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
SCHEMBL10816845 0.87 SMN1; SMN2 (0.39) SHBGEPHX1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL9929712 0.83 CTSK (0.35) EPHX1ALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL479275 0.78 EPHX1 (0.38) EPHX1ALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL2333583 0.77 PDK1 (0.34) TUBB1
SCHEMBL2333591 0.77 PDK1 (0.34) TUBB1
SCHEMBL28481948 0.77 EPHX1 (0.36) EPHX1ALDH1A1NPSR1SMN1; SMN2MEN1
SCHEMBL5965708 0.76 EPHX1 (0.33) EPHX1ALDH1A1NPSR1TUBB1GRIK1
SCHEMBL21114292 0.73 SHBG (0.52) SHBGEPHX1ALDH1A1NPSR1TP53
SCHEMBL21114236 0.73 SHBG (0.52) SHBGEPHX1ALDH1A1NPSR1TP53
SCHEMBL21114258 0.73 SHBG (0.52) SHBGEPHX1ALDH1A1NPSR1TP53

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
US-4680359-A CYCLOALIPHATIC METHACRYLATE INTERPOLYMER ROHM GMBH (DE) 1987-07-14 US disclosed