SCHEMBL8009528

SCHEMBL8009528

CCOC(=O)c1cc(C(=O)N2CC(O)C2)cc(-c2ccc(C)cc2N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36
PTGER4 P35408 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP46A1 Q9Y6A2 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
VDR P11473 1/20 0.35
PDK2 Q15119 2/20 0.35
TPSAB1 Q15661 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL8009395 0.85 CYP46A1 (0.39) ALDH1A1CYP46A1PDK2CA12CA1
SCHEMBL1495535 0.85 KDM1A (0.38) TDP1LMNAALDH1A1CYP46A1MAPK1
SCHEMBL1495464 0.84 TDP1 (0.41) TDP1ALDH1A1CA12CA1CA2
SCHEMBL7997686 0.81 KDM4E (0.46) TDP1LMNACYP1A2CYP3A4MAOA
SCHEMBL8008656 0.76 TDP1 (0.48) TDP1LMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL8008718 0.76 KDM4E (0.46) MAPK1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7997679 0.75 WDR5 (0.43) ALDH1A1
SCHEMBL8008715 0.72 TDP1 (0.49) TDP1LMNACYP3A4ALDH1A1CYP46A1
SCHEMBL8012010 0.71 KDM4E (0.49) TDP1ALDH1A1MAPK1KDM4ERAB9A
SCHEMBL1495531 0.70 RAB9A (0.51) ALDH1A1MAPK1KDM4ERAB9ASMN1; SMN2

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
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed