SCHEMBL8973409

SCHEMBL8973409

O=C(O)CC1=CCCc2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP1 P09874 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
AKR1B1 P15121 2/20 0.39
KDM4C Q9H3R0 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRK6 P43250 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GFER P55789 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL9127775 0.82 L3MBTL1 (0.37) TDP1L3MBTL1PARP1PARP10SRD5A1
SCHEMBL20596974 0.81 TDP1 (0.36) TDP1L3MBTL1PARP1PARP10SRD5A1
SCHEMBL10078298 0.79 MPO (0.52)
SCHEMBL7401882 0.79 SIGMAR1 (0.45) SRD5A1SRD5A2AKR1B1LMNA
SCHEMBL9572172 0.77 CYP1A2 (0.48) AKR1B1PTGDR2MEN1KMT2AGRK6
SCHEMBL3451418 0.76 AKR1B1 (0.56) AKR1B1
Acetic Acid SCHEMBL9127778 0.75 TDP1 (0.41) TDP1L3MBTL1PARP1PARP10SRD5A1
SCHEMBL17188065 0.73 TDP1 (0.41) TDP1L3MBTL1PARP1PARP10
SCHEMBL5343932 0.72 SRD5A1 (0.50) L3MBTL1SRD5A1SRD5A2AKR1B1SLC1A3
SCHEMBL8308916 0.72 RXRA (0.48)

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 3 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 disclosed
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 disclosed
EP-0538097-A1 Naphthalene-1-acetic-acid derivatives, their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-04-21 EP disclosed