SCHEMBL7928744

SCHEMBL7928744

OCCOCC=C(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.42
MAOB P27338 1/20 0.42
CES2 O00748 2/20 0.42
LMNA P02545 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRD5A2 P31213 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
KCNK3 O14649 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KAT6A Q92794 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
PTBP1 P26599 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7928743 1.00 TBXAS1 (0.42) TBXAS1MAOBCES2LMNACYP1A2
SCHEMBL7923366 0.83 SIGMAR1 (0.44) TBXAS1KMT2AMEN1ALDH1A1
SCHEMBL7923103 0.82 CES2 (0.39) MAOBCES2SRD5A2
SCHEMBL7923327 0.80 SMN1; SMN2 (0.39) KMT2AMEN1KCNK3POLBSMN1; SMN2
SCHEMBL7926213 0.80 CACNA1B (0.42) MAOBKMT2AMEN1KCNK3SMN1; SMN2
SCHEMBL7923324 0.80 SMN1; SMN2 (0.39) KMT2AMEN1KCNK3POLBSMN1; SMN2
SCHEMBL7926216 0.80 CACNA1B (0.42) MAOBKMT2AMEN1KCNK3SMN1; SMN2
SCHEMBL7925191 0.77 CES2 (0.49) TBXAS1MAOBCES2LMNASRD5A2
SCHEMBL7925187 0.77 CES2 (0.49) TBXAS1MAOBCES2LMNASRD5A2
SCHEMBL7923233 0.77 MTNR1A (0.56) MAOBCES2SMN1; SMN2

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