SCHEMBL8955004

SCHEMBL8955004

O=C(c1ccccc1)C(Br)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.41
CYP3A4 P08684 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
AKR1C3 P42330 1/20 0.40
F2 P00734 1/20 0.40
CYP1A2 P05177 2/20 0.40
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL28603617 0.89 CYP1A2 (0.42) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL10465555 0.88 PPARA (0.48) L3MBTL1CES2CES1MEN1KMT2A
SCHEMBL10465557 0.88 PPARG (0.49) CES2CES1MEN1KMT2AGAA
SCHEMBL11512926 0.88 KMT2A (0.48) TDP1CES2CES1LMNAALDH1A1
SCHEMBL28701598 0.86 SRD5A2 (0.58) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL11513036 0.85 OGG1 (0.46) LMNAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11647490 0.84 MEN1 (0.56) TDP1L3MBTL1CES2CES1ALDH1A1
SCHEMBL28342113 0.81 CYP1A2 (0.42) LMNAALDH1A1KMT2ACYP3A4CYP1A2
SCHEMBL5319015 0.81 CYP1A2 (0.46) CES2CES1CYP1A2MTNR1AMTNR1B
SCHEMBL7585829 0.79 TDP1 (0.48) TDP1L3MBTL1CES2CES1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398692-B1 Alkoxyiminoacetamide derivatives and their use as fungicides SHIONOGI & CO (JP) 1996-08-21 EP disclosed
US-5548078-A FOR AGRICULTURE SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1996-08-20 US disclosed
US-5401877-A Agricultural fungicide SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1995-03-28 US disclosed
EP-0629609-A1 Process for the preparation of Alkoxyiminoacetamide derivatives and an intermediate therefor SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-12-21 EP disclosed
US-5371223-A Controlling phytopathogens SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-12-06 US disclosed
US-5371222-A Intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-12-06 US disclosed
US-5262540-A FOR INHIBITION OF BLOOD PLATELET AGGREGATION IN MAMMALS BRISTOL-MYERS SQUIBB COMPANY (US) 1993-11-16 US disclosed
US-5185342-A ALKOXYIMINOACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-09 US disclosed
EP-0434034-A1 Oxazole derivatives Bristol-Myers Squibb Company (US) 1991-06-26 EP disclosed
EP-0398692-A2 Alkoxyiminoacetamide derivatives and their use as fungicides SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-11-22 EP disclosed
US-4147791-A 1-Substituted-1,2,4-triazole fungicidal compositions and methods for combatting fungi that infect or attack plants BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4048318-A 1-Substituted-1,2,4-triazole fungicides BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed