SCHEMBL21145339

SCHEMBL21145339

O=C(c1ccccc1)c1ccccc1Oc1nc(Oc2ccccc2C(=O)c2ccccc2)nc(Oc2ccccc2C(=O)c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.53
▸ AKR1C3 P42330 1/20 0.50
▸ SRC P12931 1/20 0.49
▸ TGFBR1 P36897 1/20 0.49
▸ MAPT P10636 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ ABCB1 P08183 4/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL29473557 1.00 ELANE (0.53) ELANEAKR1C3SRCTGFBR1MAPT
SCHEMBL9282306 0.87 ELANE (0.61) ELANEAKR1C3SRCTGFBR1MAPT
SCHEMBL28656936 0.83 SRC (0.48) ELANEAKR1C3SRCTGFBR1MAPT
SCHEMBL29947318 0.83 HTT (0.59) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4631035 0.81 CTNNB1 (0.65) ELANEAKR1C3SRCTGFBR1MAPT
Benzophenone SCHEMBL28468666 0.80 CTNNB1 (0.62) ELANEAKR1C3SRCTGFBR1MAPT
SCHEMBL9419499 0.79 SRD5A2 (0.58) ELANEAKR1C3MAPTGAAALDH1A1
SCHEMBL11185222 0.79 ELANE (0.53) ELANEAKR1C3SRCTGFBR1MAPT
SCHEMBL10937410 0.79 ELANE (0.53) ELANEAKR1C3SRCTGFBR1MAPT
SCHEMBL8746846 0.78 CTNNB1 (0.65) ELANEAKR1C3MAPTALDH1A1MEN1

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
US-20190352542-A1 POLYMERIC ADHESIVE LAYERS AS CERAMIC PRECURSORS 3M INNOVATIVE PROPERTIES COMPANY 2019-11-21 — — US disclosed
US-20190218425-A1 SILOXANE-BASED ADHESIVE LAYERS AS CERAMIC PRECURSORS 3M INNOVATIVE PROPERTIES COMPANY 2019-07-18 — — US disclosed
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