SCHEMBL13075828

SCHEMBL13075828

CCCOCC(=O)Cc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
LMNA P02545 4/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 2/20 0.39
PLA2G4B P0C869 1/20 0.38
GAA P10253 2/20 0.37
CYP2D6 P10635 3/20 0.36
KDM4E B2RXH2 1/20 0.36
PDE4A P27815 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL9571886 0.85 ESR1 (0.46) CYP1A2LMNACYP3A4TSHRCYP2C19
SCHEMBL28214402 0.83 CES1 (0.45) LMNATSHRALDH1A1MAPTPLA2G4B
SCHEMBL21663226 0.80 PIK3CA (0.42) HRH3
SCHEMBL14836038 0.76 CYP3A4 (0.42) CYP1A2LMNACYP3A4TSHRCYP2C9
SCHEMBL11038201 0.76 CYP1A2 (0.47) CYP1A2LMNACYP3A4TSHRCYP2C9
SCHEMBL5272776 0.75 GFER (0.50) CYP3A4TSHRALDH1A1MAPTRAB9A
SCHEMBL13075832 0.74 THRA (0.39) LMNAALDH1A1HPGDHSD17B10
SCHEMBL13799442 0.72 TSHR (0.42) CYP1A2LMNACYP3A4TSHRCYP2C9
Bromide SCHEMBL10878923 0.71 TSHR (0.41) CYP1A2LMNACYP3A4TSHRCYP2C9
SCHEMBL11204067 0.71 ACHE (0.54) CYP1A2LMNAALDH1A1NPC1RAB9A

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-2010124385-A1 PROCESSES FOR THE PREPARATION OF RIVAROXABAN AND INTERMEDIATES THEREOF APOTEX PHARMACHEM INC. (CA) 2010-11-04 WO disclosed