SCHEMBL13812593

SCHEMBL13812593

O=C(NCC1CCCCC1)C1CCOC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.66
KDM4E B2RXH2 1/20 0.46
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
CA9 Q16790 1/20 0.45
IL1B P01584 1/20 0.44
P2RX7 Q99572 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
CTSS P25774 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
SCHEMBL19888380 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK
SCHEMBL21229787 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK
SCHEMBL19888379 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK
SCHEMBL24383485 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK
SCHEMBL21229885 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK
SCHEMBL24029511 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK
SCHEMBL21229887 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK
SCHEMBL21229786 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK
SCHEMBL21107147 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK
SCHEMBL19888402 0.80 EPHX1 (1.00) EPHX1KDM4ECTSLCTSBCTSK

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-1740591-B1 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2009-06-17 EP disclosed