SCHEMBL4454833

SCHEMBL4454833

O=C(O)C(C1CCCCC1)C1CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.48
ALDH1A1 P00352 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
DPP4 P27487 1/20 0.34
CHRM3 P20309 1/20 0.34
SRD5A2 P31213 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
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11108735 0.86 EPHX1 (0.40) EPHX1ALDH1A1
SCHEMBL10660120 0.82 EPHX1 (0.61) EPHX1ALDH1A1DPP4MEN1MITF
SCHEMBL17316191 0.82 EPHX1 (0.61) EPHX1ALDH1A1DPP4MEN1MITF
SCHEMBL66996 0.82 EPHX1 (0.61) EPHX1ALDH1A1DPP4MEN1MITF
SCHEMBL2848894 0.79 EPHX1 (0.56) EPHX1ALDH1A1DPP4MEN1MITF
SCHEMBL465427 0.72 PRSS1 (0.30)
SCHEMBL13353720 0.69 EPHX1 (0.42) EPHX1ALDH1A1DPP4SRD5A2MEN1
SCHEMBL11197502 0.69 EPHX1 (0.64) EPHX1ALDH1A1CA12CA1CA2
SCHEMBL849367 0.69 EPHX1 (0.42) EPHX1ALDH1A1MEN1LMNATP53
SCHEMBL5519174 0.69 TP53 (0.39) EPHX1CA12CA1CA2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009120211-A1 POLYMERIC COMPOSITIONS FOR PLASTIC STRAPPING BASF CORPORATION (US) 2009-10-01 WO claimed
US-20240141086-A1 CURABLE COMPOSITION COMPRISING LIGHT POLYMERIZABLE LIQUID AND EPOXY PRECURSOR FOR COATING, 2D OBJECT FORMATION AND 3D PRINTING BASF SE (DE) 2024-05-02 US disclosed
EP-4298480-A1 CURABLE COMPOSITION COMPRISING LIGHT POLYMERIZABLE LIQUID AND EPOXY PRECURSOR FOR COATING, 2D OBJECT FORMATION AND 3D PRINTING BASF SE (DE) 2024-01-03 EP disclosed
CN-101977949-A Polymeric compositions for plastic strapping BASF CORP 2011-02-16 CN disclosed
WO-2009120211-A1 POLYMERIC COMPOSITIONS FOR PLASTIC STRAPPING BASF CORPORATION (US) 2009-10-01 WO disclosed