SCHEMBL8972901

SCHEMBL8972901

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
RRM1 P23921 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
BACE1 P56817 1/20 0.38
NR4A2 P43354 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
AKR1C2 P52895 1/20 0.37
PLAU P00749 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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 0.88 AKR1C2 (0.45) MTNR1ARRM1L3MBTL1NR4A2MEN1
SCHEMBL8533289 0.88 AKR1C2 (0.45) MTNR1ARRM1L3MBTL1NR4A2MEN1
SCHEMBL10552187 0.82 NR4A2 (0.41) MTNR1ABACE1NR4A2AKR1C2PLAU
SCHEMBL10552181 0.82 NR4A2 (0.41) MTNR1ABACE1NR4A2AKR1C2PLAU
SCHEMBL1668640 0.79 NR4A2 (0.54) MTNR1AABCG2L3MBTL1NR4A2MEN1
SCHEMBL9152862 0.77 NPC1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8200612 0.77 NPC1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8200609 0.77 NPC1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL23712595 0.76 ALDH1A1 (0.39) NR4A2MEN1KMT2AKDM4EGAA
SCHEMBL8533287 0.76 MEN1 (0.43) MTNR1AL3MBTL1NR4A2MEN1KMT2A

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 4 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
US-5451696-A Parasiticide intermediate ROUSSEL-UCLAF (FR) 1995-09-19 US claimed
JP-6025095-A None JP disclosed
JP-H0625095-A NEW DERIVATIVE OF 7-ETHYNYL-ALPHA-(METHOXYMETHYLENE)-1-NAPHTHALENE ACETIC ACID, ITS PREPARATION AND ITS USE AS AGENT FOR EXTERMINATING PEST ROUSSEL UCLAF 1994-02-01 JP disclosed