SCHEMBL14312549

SCHEMBL14312549

CC=CC(=O)N1CCC(OC(=O)NCc2ccc(OC)cc2OC)(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ FPR3 P25089 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ OPRM1 P35372 1/20 0.40

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
SCHEMBL14312680 0.91 GRIN2B (0.47) GAATDP1HPGDPKMHTT
SCHEMBL14312440 0.86 LMNA (0.45) ALDH1A1KDM4EPKMKMT2A
SCHEMBL14312528 0.86 USP2 (0.52) ALDH1A1GAAKDM4ETDP1SMN1; SMN2
SCHEMBL2472775 0.86 KMT2A (0.48) ALDH1A1GAAKDM4ETDP1SMN1; SMN2
SCHEMBL2472772 0.86 KMT2A (0.48) ALDH1A1GAAKDM4ETDP1SMN1; SMN2
SCHEMBL14312514 0.85 KDM4E (0.49) ALDH1A1GAAKDM4ETDP1SMN1; SMN2
SCHEMBL14312471 0.83 TAS1R3 (0.46) ALDH1A1GAAKDM4ETDP1SMN1; SMN2
SCHEMBL14312589 0.83 ALDH1A1 (0.58) ALDH1A1GAAKDM4ETDP1SMN1; SMN2
SCHEMBL14312275 0.83 KMT2A (0.51) ALDH1A1GAAKDM4ETDP1SMN1; SMN2
SCHEMBL14312438 0.82 KDM4E (0.41) ALDH1A1KDM4EKMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 — — EP claimed
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