SCHEMBL8979387

SCHEMBL8979387

CCOC(=O)C(=CNc1ccc(F)c(F)c1OC[C@@H](C)OS(=O)(=O)c1ccc(C)cc1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 6/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
LMNA P02545 4/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MME P08473 1/20 0.33
POLB P06746 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
SCHEMBL3816789 0.88 GAA (0.44) DHODHMEN1KMT2AMAPTGAA
SCHEMBL3819630 0.82 DHODH (0.48) DHODHMEN1KMT2AMAPTGAA
SCHEMBL3819434 0.82 DHODH (0.48) DHODHMEN1KMT2AMAPTGAA
SCHEMBL8979384 0.78 MME (0.34) DHODHMEN1KMT2AMAPTGAA
SCHEMBL8979377 0.74 PTGS2 (0.36) DHODHKMT2AALDH1A1LMNACYP1A2
SCHEMBL8979406 0.74 PTGS2 (0.36) DHODHKMT2AALDH1A1LMNACYP1A2
SCHEMBL10558465 0.73 DHODH (0.53) DHODHMEN1KMT2AMAPTGAA
SCHEMBL8979389 0.72 KMT2A (0.40) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL8979366 0.72 KMT2A (0.40) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL8979391 0.72 KMT2A (0.40) MEN1KMT2AMAPTALDH1A1CYP3A4

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-0322815-B1 Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1996-05-15 EP disclosed
US-5312999-A Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
US-5136059-A PROPOXYBENZENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-04 US disclosed
EP-0322815-A2 Propoxybenzene derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed