SCHEMBL4438932

SCHEMBL4438932

CC(C)(C)OC(=O)N1C2CCC1CC(Oc1ccc3ccc(=O)oc3c1)C2.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
GLA P06280 4/20 0.42
GAA P10253 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 5/20 0.40
MAOA P21397 1/20 0.40
HIF1A Q16665 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 2/20 0.40
POLB P06746 2/20 0.40
CA9 Q16790 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1011111 0.92 MAOA (0.47) KDM4EGLAGAAHPGDMAPT
SCHEMBL1949494 0.88 MAOA (0.47) KDM4EGLAGAAHPGDMAPT
SCHEMBL1949495 0.88 MAOA (0.47) KDM4EGLAGAAHPGDMAPT
SCHEMBL1091721 0.85 CA12 (0.46) KDM4EGLAGAAHPGDMAPT
SCHEMBL741084 0.80 SLC6A2 (0.48) HPGDALDH1A1MAOAGPR119CHRM2
SCHEMBL15304583 0.80 SLC6A2 (0.48) HPGDALDH1A1MAOAGPR119CHRM2
SCHEMBL741083 0.80 SLC6A2 (0.48) HPGDALDH1A1MAOAGPR119CHRM2
SCHEMBL3400677 0.80 ALDH1A1 (0.51) KDM4EHPGDMAPTALDH1A1MAOA
SCHEMBL3400683 0.80 ALDH1A1 (0.51) KDM4EHPGDMAPTALDH1A1MAOA
SCHEMBL1091835 0.79 MAOB (0.44) MAOAGPR119CHRM2CHRM1CHRM3

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
EP-2121678-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2009-11-25 EP disclosed
WO-2008074798-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-06-26 WO disclosed