SCHEMBL21752111

SCHEMBL21752111

O=C(c1cccc(Br)c1)C1COCCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MTOR P42345 1/20 0.39
L3MBTL3 Q96JM7 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
HSD11B1 P28845 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL28193892 0.81 EPHX1 (0.41) HPGDMAPTALDH1A1TP53KMT2A
SCHEMBL21132553 0.81 HPGD (0.56) PARP1HPGDMAPTALDH1A1TP53
SCHEMBL29723381 0.81 HPGD (0.56) PARP1HPGDMAPTALDH1A1TP53
SCHEMBL14039530 0.75 PARP1 (0.46) PARP1MAPTALDH1A1KMT2AMEN1
SCHEMBL28204428 0.75 HDAC1 (0.46) KMT2AMEN1NPC1RAB9A
SCHEMBL21752112 0.72 HPGD (0.48) PARP1HPGDMAPTALDH1A1TP53
SCHEMBL28854034 0.71 ALDH1A1 (0.44) PARP1HPGDALDH1A1TP53KMT2A
SCHEMBL1639877 0.71 HSD11B1 (0.57) PARP1HPGDALDH1A1TP53KMT2A
SCHEMBL30392034 0.70 SLC6A3 (0.36) MAPTTDP1
SCHEMBL24369636 0.69 HPGD (0.47) PARP1HPGDMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3841431-A1 ULTRATHIN ELECTROCHROMIC DEVICE FOR HIGH OPTICAL MODULATION NITTO DENKO CORPORATION (JP) 2021-06-30 EP disclosed
WO-2020041632-A1 ULTRATHIN ELECTROCHROMIC DEVICE FOR HIGH OPTICAL MODULATION NITTO DENKO CORPORATION (JP) 2020-02-27 WO disclosed