SCHEMBL7745499

SCHEMBL7745499

COC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ELANE P08246 8/20 0.51
PLAU P00749 4/20 0.51
F2 P00734 3/20 0.51
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
HTR3A P46098 3/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
TSHR P16473 1/20 0.40
CFD P00746 1/20 0.40
SLC16A3 O15427 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
SCHEMBL12480155 0.87 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL12479194 0.86 CFD (0.47) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL18953725 0.83 ELANE (0.53) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL18953622 0.83 MAPT (0.54) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL18953768 0.83 ELANE (0.45) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL7745247 0.83 ELANE (0.60) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL4055759 0.82 ELANE (0.51) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL20589136 0.82 NPSR1 (0.39) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL18953751 0.82 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL13329858 0.82 KDM4E (0.50) KDM4EALDH1A1LMNAHPGDHTT

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed