SCHEMBL18091012

SCHEMBL18091012

CC(=O)NC1CCN(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
EPHX2 P34913 6/20 0.44
EPHX1 P07099 2/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL14607759 0.84 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL508551 0.82 ATM (0.45) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL13116784 0.80 CA1 (0.45) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL21452685 0.80 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL9893075 0.80 EPHX2 (0.67) EPHX2EPHX1
SCHEMBL508550 0.80 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL14025208 0.80 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL14252483 0.80 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL13654292 0.80 ATM (0.44) ATMEPHX2EPHX1ALDH1A1KDM4E
SCHEMBL50350 0.80

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-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed