SCHEMBL28876076

SCHEMBL28876076

CCCCOc1ccc(P=O)c(OCCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 3/20 0.41
LTA4H P09960 2/20 0.41

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
SCHEMBL27995332 0.97 NR5A1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL6716078 0.79 CYP1A2 (0.55) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL6716077 0.79 CYP1A2 (0.55) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL29657323 0.77 LTA4H (0.48) CA12CA1CA2CA7CA9
SCHEMBL1573623 0.77 LTA4H (0.48) CA12CA1CA2CA7CA9
SCHEMBL14231474 0.76 MEN1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL10717739 0.74 TSHR (0.46) CA12CA1CA2CA7CA9
SCHEMBL2499383 0.74 NR5A1 (0.53) TSHRLTA4HNR5A1THRATHRB
SCHEMBL29657341 0.74 NR5A1 (0.53) TSHRLTA4HNR5A1THRATHRB
SCHEMBL19583373 0.74 THRA (0.52) TSHRTHRATHRBTP53

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-110194937-A Double-sided pressure-sensitive adhesive tape 日东电工株式会社 2019-09-03 CN disclosed