SCHEMBL8893799

SCHEMBL8893799

O=C(c1ccc2c(c1)OCCO2)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
CTNNB1 P35222 7/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 2/20 0.56
ATM Q13315 1/20 0.56
WNT3A P56704 4/20 0.54
HPGD P15428 2/20 0.53
PKM P14618 1/20 0.53
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL9000245 0.89 ALDH1A1 (0.62) CTNNB1WNT3AHPGDPKMMAPT
SCHEMBL30539184 0.89 ALDH1A1 (0.62) CTNNB1WNT3AHPGDPKMMAPT
SCHEMBL26054610 0.82 TSHR (0.61) TSHRCTNNB1KDM4EATMWNT3A
SCHEMBL4824992 0.79 NPSR1 (0.74) TSHRCTNNB1KDM4EATMWNT3A
SCHEMBL619634 0.77 MAPK1 (0.78) TSHRCTNNB1KDM4EATMHPGD
SCHEMBL26054479 0.76 NPC1 (0.54) TSHRCTNNB1KDM4EATMWNT3A
SCHEMBL624490 0.76 TSHR (1.00) TSHRCTNNB1KDM4EATMWNT3A
SCHEMBL29410881 0.76 TSHR (1.00) TSHRCTNNB1KDM4EATMWNT3A
SCHEMBL102971 0.76 KDM4E (0.89) TSHRCTNNB1KDM4EATMWNT3A
SCHEMBL828491 0.76 TSHR (0.67) TSHRCTNNB1KDM4EATMWNT3A

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
US-5606095-A 2-aminooxymethylenephenylacetic acid derivatives CIBA-GEIGY CORPORATION (US) 1997-02-25 US disclosed
EP-0600835-B1 Method for the production of derivatives of phenylacetic acid esters CIBA GEIGY AG (CH) 1996-09-11 EP disclosed
EP-0600835-A1 Method for the production of derivatives of phenylacetic acid esters CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed