SCHEMBL8533289

SCHEMBL8533289

COC=C(C(=O)O)c1cccc2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.45
MTNR1A P48039 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 1/20 0.37
RRM1 P23921 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NR4A2 P43354 2/20 0.35
PLA2G2D Q9UNK4 1/20 0.35

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
SCHEMBL8533283 1.00 AKR1C2 (0.45) AKR1C2MTNR1AMEN1KMT2ARXFP1
SCHEMBL8972901 0.88 MTNR1A (0.42) AKR1C2MTNR1AMEN1KMT2ARXFP1
SCHEMBL8533287 0.86 MEN1 (0.43) AKR1C2MTNR1AMEN1KMT2ARXFP1
SCHEMBL8891560 0.85 AKR1C2 (0.46) AKR1C2MTNR1AMEN1KMT2ACYP1A2
SCHEMBL8891576 0.85 AKR1C2 (0.46) AKR1C2MTNR1AMEN1KMT2ACYP1A2
SCHEMBL8598935 0.85 AKR1C2 (0.46) AKR1C2MTNR1AMEN1KMT2ACYP1A2
SCHEMBL8598938 0.85 AKR1C2 (0.46) AKR1C2MTNR1AMEN1KMT2ACYP1A2
SCHEMBL8889586 0.83 AKR1C2 (0.43) AKR1C2MTNR1AMEN1KMT2ACYP1A2
SCHEMBL8889571 0.83 AKR1C2 (0.43) AKR1C2MTNR1AMEN1KMT2ACYP1A2
SCHEMBL8972816 0.83 AKR1C2 (0.58) AKR1C2MEN1KMT2ACYP1A2CYP3A4

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
EP-0566455-B1 Derivatives of 7-ethynyle alpha-(methoxymethylene)1-naphthalenacetic acid, their process of preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-03-06 EP claimed
EP-0566455-A1 Derivatives of 7-ethynyle alpha-(methoxymethylene)1-naphthalenacetic acid, their process of preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-10-20 EP claimed
EP-0819115-A1 FUNGICIDAL COMPOUNDS AgrEvo UK Limited (GB) 1998-01-21 EP disclosed
EP-0819111-A1 FUNGICIDAL COMPOUNDS AgrEvo UK Limited (GB) 1998-01-21 EP disclosed
WO-1996029305-A1 FUNGICIDAL COMPOUNDS AGREVO UK LIMITED (GB) 1996-09-26 WO disclosed
WO-1996029301-A1 FUNGICIDAL COMPOUNDS AGREVO UK LIMITED (GB) 1996-09-26 WO disclosed