SCHEMBL8008684

SCHEMBL8008684

O=C(c1ccccc1)c1ccccc1C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.53
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 3/20 0.43
CDC25B P30305 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL9236867 0.84 MAPT (0.51) AKR1C3GAAMAPTALDH1A1MEN1
SCHEMBL474960 0.80 AKR1C3 (0.52) AKR1C3GAAMAPTALDH1A1MEN1
SCHEMBL2917945 0.80 LMNA (0.39) AKR1C3MAPTALDH1A1KMT2ALMNA
SCHEMBL1004343 0.80 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1MEN1
SCHEMBL4612468 0.79 CYP19A1 (0.52) ALDH1A1TDP1NPSR1MAPK1L3MBTL1
SCHEMBL7639009 0.78 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1MEN1
SCHEMBL31727764 0.78 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1MEN1
SCHEMBL6838795 0.78 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1KMT2A
SCHEMBL173243 0.78 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1MEN1
SCHEMBL7798902 0.78 MAPT (0.47) AKR1C3GAAMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000038636-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-07-06 WO claimed
EP-0977545-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-02-09 EP claimed
EP-0977546-A1 USE OF UNSATURATED ALDEHYDES IN DYING FIBERS CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-02-09 EP claimed
WO-1999019558-A2 USE OF MALONALDEHYDE DERIVATIVES FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-04-22 WO claimed
WO-1998047473-A1 USE OF UNSATURATED ALDEHYDES IN DYING FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-10-29 WO claimed
WO-1998047472-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-10-29 WO claimed