SCHEMBL24022673

SCHEMBL24022673

C=C(OCCCCOC)c1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
CASP1 P29466 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 1/20 0.45
CYP4A11 Q02928 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
CYP4F2 P78329 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL17340005 0.92 MAPT (0.46) MAPTRAB9ANPC1CASP1ALDH1A1
SCHEMBL17340007 0.86 ABCB11 (0.52) MAPTRAB9ANPC1CASP1ALDH1A1
SCHEMBL21361792 0.85 L3MBTL1 (0.51) MAPTRAB9AALDH1A1TDP1POLB
SCHEMBL19627836 0.81 L3MBTL1 (0.47) MAPTRAB9AALDH1A1TDP1POLB
SCHEMBL17340006 0.81 MAPT (0.46) MAPTRAB9ANPC1CASP1ALDH1A1
SCHEMBL12736802 0.80 SMN1; SMN2 (0.46) MAPTRAB9ANPC1ALDH1A1CA1
SCHEMBL2389583 0.80 TDP1 (0.57) MAPTRAB9AALDH1A1CA1CA2
SCHEMBL15693338 0.78 MAPT (0.79) MAPTRAB9ANPC1ALDH1A1CA1
SCHEMBL6132617 0.77 MAPT (0.77) MAPTRAB9ANPC1ALDH1A1CA1
SCHEMBL7324122 0.77 MAPT (0.77) MAPTRAB9ANPC1ALDH1A1CA1

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
EP-3910000-A1 SUSTAINABLE PBT COMPOSITIONS WITH IMPROVED COLOR CAPABILITY USING THE PURIFIED TEREPHTHALIC ACID PROCESS SHPP Global Technologies B.V. (NL) 2021-11-17 EP disclosed