SCHEMBL7923366

SCHEMBL7923366

OCCOCC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
TBXAS1 P24557 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL7123836 0.88 SIGMAR1 (0.51) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7923327 0.86 SMN1; SMN2 (0.39) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7926213 0.86 CACNA1B (0.42) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7926216 0.86 CACNA1B (0.42) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7923324 0.86 SMN1; SMN2 (0.39) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7925193 0.84 SLC6A1 (0.40) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7925198 0.84 SLC6A1 (0.40) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7923233 0.84 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL7923230 0.84 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL7928743 0.83 TBXAS1 (0.42) ALDH1A1TBXAS1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174898-B1 TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS NOVO NORDISK A/S (DK) 2001-01-16 US disclosed
EP-0858339-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1998-08-19 EP disclosed
EP-0502031-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK AS (DK) 1997-08-20 EP disclosed
WO-1997017073-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1997-05-15 WO disclosed
US-5198451-A Treatment of epilepsy, inhibitors of gamma-aminobutyric acid uptake from synaptic cleft NOVO NORDISK A/S (DK) 1993-03-30 US disclosed
EP-0502031-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-09 EP disclosed
WO-1991007389-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-05-30 WO disclosed