SCHEMBL9459783

SCHEMBL9459783

COc1ccc(COC(=O)CCc2nc(-c3ccc(Cl)cc3)co2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 4/20 0.41
ENPP3 O14638 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.41
DHODH Q02127 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9440823 0.87 MEN1 (0.59) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9441057 0.85 ALDH1A1 (0.48) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9440912 0.82 TSHR (0.49) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9440733 0.77 S1PR1 (0.40) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL4329577 0.75 ENPP3 (0.46) KDM4EALOX15MAPTENPP3HPGD
SCHEMBL9441026 0.74 TSHR (0.58) KDM4ECYP2C9S1PR1S1PR3TSHR
SCHEMBL4333153 0.74 TSHR (0.46) KDM4EMEN1KMT2AS1PR1S1PR3
SCHEMBL10435551 0.73 TSHR (0.44) KDM4EKMT2AS1PR1S1PR3TSHR
SCHEMBL13732755 0.73 ENPP3 (0.56) S1PR1S1PR3SMN1; SMN2MAPTENPP3
SCHEMBL3180487 0.73 NPC1 (0.45) KDM4EMEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5239080-A Oxazole compounds and their use as antidiabetic and bone-reduction inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-24 US disclosed
EP-0382199-A1 Oxazole compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-08-16 EP disclosed